%chk=000004350.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004350

0 1
 O   -2.068200      4.6999998E-02  -1.360500    
 O   0.6764000       1.735500     -0.1691000    
 O   -2.438600      -4.129300      -1.560800    
 O  -9.6799999E-02   3.773000     -0.8816000    
 N   -1.236900      -1.345700      0.2905000    
 N   -1.544900       2.225300      4.6100002E-02
 C   -1.738200      0.9900000      0.7918000    
 C   -3.116400       1.137600       1.426900    
 C  -0.9823000      -2.492400     -0.5716000    
 C   -3.863100       2.046500      0.4520000    
 C  -0.7892000      -1.604000       1.656700    
 C  -8.2599998E-02  -3.405100      0.2534000    
 C   -1.698000     -0.1337000     -0.1992000    
 C   -2.781300       2.994600     -4.1999999E-02
 C  -0.4858000      -3.094200       1.692800    
 C   -2.307600      -3.130700     -0.8608000    
 C  -0.3019000       2.670700     -0.3784000    
 C    1.997600       2.108600     -0.5759000    
 C    2.939200      0.9790000     -0.2778000    
 C    3.578000      0.9226000      0.9560000    
 C    3.164200     -1.5000000E-03  -1.237600    
 C    4.453200     -0.1275000       1.233400    
 C    4.039400      -1.051700     -0.9601000    
 C    4.683800      -1.114600      0.2755000    
 H  -0.9528000      0.9086000       1.546600    
 H   -3.635000      0.1870000       1.583800    
 H   -3.026600       1.643800       2.395800    
 H  -0.5325000      -2.169100      -1.515400    
 H   -4.700900       2.572600      0.9180000    
 H   -4.257500       1.455600     -0.3829000    
 H   -1.552700      -1.308600       2.381600    
 H   0.1224000      -1.021800       1.831100    
 H  -0.1874000      -4.467800      1.5200000E-02
 H   0.9667000      -3.121700      0.1041000    
 H   -2.677900       3.866400      0.6131000    
 H   -2.940500       3.341400      -1.066900    
 H   -1.391800      -3.654600       1.953000    
 H   0.2917000      -3.348500       2.418500    
 H   -3.198700      -2.667900     -0.4013000    
 H    2.004100       2.334100      -1.649600    
 H    2.308600       3.013200     -3.8500000E-02
 H    3.403400       1.684700       1.710500    
 H    2.665000      3.5900000E-02  -2.201900    
 H    4.954200     -0.1772000       2.195700    
 H    4.217900      -1.821200      -1.705400    
 H    5.364400      -1.932800      0.4917000    


%chk=000004350-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004350

0 1
O -1.580748 -0.142809 -1.306433
O 0.568214 1.799795 0.803820
O -1.588010 -4.564099 -0.371197
O 0.202039 3.738414 -0.513258
N -1.032113 -1.214418 0.673915
N -1.558028 2.349363 0.169560
C -2.020439 1.083882 0.782388
C -3.570098 1.216257 0.693607
C -0.465313 -2.384267 -0.061840
C -3.794704 2.070989 -0.581614
C -0.682517 -1.259623 2.125750
C 0.530674 -3.016115 0.930375
C -1.513883 -0.132018 -0.032063
C -2.627896 3.085664 -0.552328
C -0.079298 -2.673563 2.315056
C -1.616906 -3.315908 -0.474034
C -0.246015 2.727434 0.088871
C 2.037128 1.992671 0.666074
C 2.662376 0.751661 0.061149
C 3.770429 0.128768 0.686344
C 2.163714 0.214449 -1.154218
C 4.382967 -1.005233 0.103059
C 2.770913 -0.919898 -1.734546
C 3.884646 -1.532559 -1.110050
H -1.672380 1.022916 1.825565
H -4.070466 0.234594 0.645285
H -3.939252 1.749374 1.589231
H 0.010043 -2.017633 -0.993975
H -4.778978 2.568265 -0.588808
H -3.705784 1.432043 -1.475477
H -1.573104 -1.102744 2.760066
H 0.059214 -0.468735 2.346939
H 0.612812 -4.102871 0.765024
H 1.526400 -2.555427 0.809821
H -2.890863 4.009176 -0.000795
H -2.275467 3.373750 -1.556565
H -0.875204 -3.398342 2.564859
H 0.666193 -2.691249 3.126983
H -2.507391 -2.782306 -0.886103
H 2.193166 2.888820 0.035390
H 2.428775 2.189218 1.679093
H 4.159447 0.532768 1.629601
H 1.296511 0.677259 -1.639270
H 5.243143 -1.474637 0.593585
H 2.382128 -1.321143 -2.677405
H 4.358023 -2.409831 -1.564932


