%chk=000003846.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003846

0 1
 O    2.529100       1.395600      -2.321200    
 O    5.907600       4.152800      0.2175000    
 N    2.184100     -0.4969000     -0.9867000    
 N    3.357500     -0.7216000       1.069200    
 N   -3.077000       1.023500       2.352600    
 N   -3.809000      -1.100400       2.067400    
 N   -2.573700      0.1492000       3.235200    
 N   -2.980300      -1.121200       3.104200    
 C    2.513100      -1.165100      0.1910000    
 C    1.847000      -2.492200      0.4666000    
 C    1.220800      -1.066000      -1.928000    
 C    2.670700      -3.628900     -0.1142000    
 C    2.762700      0.7399000      -1.309500    
 C  -0.1867000     -0.6256000      -1.625200    
 C    3.728000       1.262000     -0.3189000    
 C    2.079200      -5.006300      0.1953000    
 C    3.984500      0.5078000      0.8290000    
 C  -0.4384000      0.7087000      -1.338400    
 C   -1.212500      -1.560300      -1.636700    
 C   -2.781400      0.1863000      -1.066500    
 C    4.370800       2.487100     -0.5292000    
 C    4.897900      0.9979000       1.769400    
 C    2.968400      -6.123100     -0.3292000    
 C   -1.742300       1.116800      -1.057600    
 C   -2.516500      -1.152200      -1.356100    
 C   -4.134100      0.6098000     -0.7759000    
 C    5.278100       2.962700      0.4164000    
 C    5.541800       2.219200       1.564800    
 C   -4.641500      0.6126000      0.5258000    
 C   -4.944400       1.025200      -1.835400    
 C   -5.951000       1.028100      0.7663000    
 C   -6.254100       1.440700      -1.594700    
 C   -3.841200      0.1920000       1.646900    
 C   -6.757500       1.442100     -0.2939000    
 H   0.8149000      -2.529100      0.1187000    
 H    1.793800      -2.614600       1.556800    
 H    1.295800      -2.154200      -1.963400    
 H    1.464000     -0.7223000      -2.941700    
 H    2.785300      -3.517800      -1.198200    
 H    3.688100      -3.578800      0.2964000    
 H    1.084000      -5.091100     -0.2563000    
 H    1.956900      -5.124200       1.278200    
 H   0.3261000       1.472800      -1.325600    
 H   -1.019300      -2.605200      -1.861900    
 H    4.174700       3.077300      -1.420600    
 H    5.113700      0.4286000       2.670600    
 H    3.961000      -6.083700      0.1309000    
 H    3.089200      -6.051100      -1.414700    
 H    2.526600      -7.098000     -0.1005000    
 H   -1.932400       2.164300     -0.8352000    
 H   -3.314900      -1.890500      -1.366800    
 H    6.247000       2.578600       2.309300    
 H   -4.570700       1.031400      -2.857000    
 H   -6.360700       1.035500       1.773900    
 H   -6.882000       1.763000      -2.420200    
 H   -7.777200       1.765500     -0.1067000    
 H    6.499500       4.326100      0.9696000    
 H   -1.922600      0.4322000       3.959600    


%chk=000003846-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003846

0 1
O 2.780686 1.387636 -2.629069
O 6.524024 4.193632 -0.472321
N 2.414443 -0.312099 -1.042481
N 3.626783 -0.410103 1.037161
N -4.761748 -0.512794 2.829502
N -3.884338 -1.982772 1.293475
N -4.247326 -1.641063 3.402015
N -3.705203 -2.554237 2.507625
C 2.712647 -0.899811 0.208260
C 2.002417 -2.172963 0.619931
C 1.373593 -0.874405 -1.957059
C 2.713764 -3.456744 0.102313
C 3.083290 0.868555 -1.509342
C -0.055990 -0.505241 -1.578088
C 4.109853 1.396668 -0.595500
C 1.994903 -4.743449 0.567680
C 4.339638 0.735792 0.653883
C -0.429070 0.848962 -1.385100
C -1.050985 -1.504505 -1.455779
C -2.762004 0.179740 -0.934736
C 4.846184 2.550165 -0.956212
C 5.326104 1.262365 1.533042
C 2.695125 -6.027466 0.074002
C -1.761220 1.182846 -1.073392
C -2.385614 -1.172491 -1.138232
C -4.174358 0.607412 -0.668501
C 5.816461 3.048296 -0.071983
C 6.058015 2.403674 1.177715
C -4.970056 0.193093 0.448142
C -4.734878 1.562648 -1.562394
C -6.268932 0.745931 0.630594
C -6.028203 2.092126 -1.382114
C -4.516151 -0.744917 1.494374
C -6.802642 1.683305 -0.273137
H 0.945453 -2.168210 0.301297
H 2.015554 -2.188824 1.723036
H 1.494707 -1.968373 -2.006173
H 1.613421 -0.451100 -2.949444
H 2.773144 -3.451318 -1.005794
H 3.757585 -3.455360 0.471918
H 0.945284 -4.728861 0.208983
H 1.943382 -4.749248 1.675072
H 0.321300 1.639112 -1.495816
H -0.786849 -2.557886 -1.615037
H 4.654614 3.040886 -1.914171
H 5.493571 0.751307 2.485401
H 3.734973 -6.080962 0.447399
H 2.733904 -6.060707 -1.031216
H 2.164762 -6.933293 0.420223
H -2.033627 2.233568 -0.920467
H -3.133194 -1.962465 -1.043558
H 6.818114 2.802498 1.862455
H -4.135239 1.878480 -2.422921
H -6.852993 0.429237 1.500968
H -6.427081 2.816159 -2.100839
H -7.807685 2.088008 -0.114689
H 7.181507 4.464456 0.215413
H -4.253317 -1.799990 4.409185


