%chk=000044704.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044704

0 1
 O    3.914400      -1.132700     -0.7848000    
 N   -1.766900      -3.013100      0.3356000    
 C  -0.7750000      0.4501000     -0.8736000    
 C   -1.801500       1.246500      1.3200000E-02
 C   -1.216400       2.585200      0.4780000    
 C   0.6485000      0.5040000     -0.2788000    
 C   -1.259500      -1.021000     -0.9513000    
 C  -5.5999998E-03   2.346400       1.364500    
 C   -3.163500       1.505300     -0.6463000    
 C   0.9939000       1.406100      0.7486000    
 C  -0.7087000       1.015300      -2.311900    
 C   -1.321800      -1.628400      0.4363000    
 C    1.664800     -0.3331000     -0.7867000    
 C   -4.111400       2.182000      0.3180000    
 C    2.302900       1.416400       1.265600    
 C    2.963300     -0.3038000     -0.2746000    
 C    3.281500      0.5681000      0.7566000    
 C   -3.108700      -3.082400     -0.2456000    
 C   -1.749400      -3.657300       1.650000    
 C    5.219000      -1.053700     -0.2128000    
 H   -1.996200      0.7242000      0.9510000    
 H   -1.920000       3.176000       1.070500    
 H  -0.9388000       3.203300     -0.3844000    
 H  -0.6127000      -1.625600      -1.599200    
 H   -2.236600      -1.022000      -1.442900    
 H  -0.3270000       1.925200       2.325400    
 H   0.4697000       3.313100       1.571900    
 H   -3.617300      0.5600000     -0.9596000    
 H   -3.066900       2.134100      -1.537900    
 H   1.4300000E-02  0.4690000      -2.929400    
 H   -1.671400      0.9372000      -2.827400    
 H  -0.4029000       2.067000      -2.320000    
 H   -2.010700      -1.119300       1.111500    
 H  -0.3327000      -1.615100      0.9064000    
 H    1.457300      -1.019700      -1.603900    
 H   -4.106200       1.707600       1.304500    
 H   -3.901000       3.249300      0.4321000    
 H   -5.134400       2.115200     -6.9899999E-02
 H    2.563800       2.097000       2.073200    
 H    4.264700      0.6427000       1.207900    
 H   -3.102000      -2.883000      -1.321300    
 H   -3.509700      -4.099800     -0.1560000    
 H   -3.817400      -2.405800      0.2459000    
 H   -2.025600      -4.714300       1.564700    
 H  -0.7409000      -3.633700       2.078200    
 H   -2.436200      -3.177100       2.356500    
 H    5.669200     -6.7900002E-02 -0.3719000    
 H    5.847000      -1.780500     -0.7384000    
 H    5.213200      -1.341400      0.8440000    


%chk=000044704-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044704

0 1
O 3.730359 -1.317753 -0.735126
N -1.673061 -3.087588 0.331993
C -0.822583 0.577076 -0.817598
C -1.813301 1.498780 -0.004816
C -1.137151 2.833203 0.393602
C 0.601632 0.600462 -0.193342
C -1.373080 -0.892881 -0.864042
C 0.025545 2.570234 1.366157
C -3.167686 1.752158 -0.725074
C 0.996548 1.537109 0.810640
C -0.701644 1.074977 -2.292766
C -1.432252 -1.630246 0.490808
C 1.566092 -0.321586 -0.667396
C -4.297166 2.185712 0.236950
C 2.324322 1.503834 1.298031
C 2.886811 -0.342531 -0.168282
C 3.281012 0.578242 0.831888
C -3.012425 -3.401415 -0.204983
C -1.407408 -3.822980 1.585274
C 5.106189 -1.380568 -0.243159
H -2.043100 0.968719 0.945255
H -1.877066 3.504816 0.868781
H -0.763456 3.354678 -0.510309
H -0.742372 -1.502447 -1.538058
H -2.376928 -0.865728 -1.329152
H -0.392170 2.212120 2.331407
H 0.568706 3.508150 1.592621
H -3.498351 0.837942 -1.255075
H -3.030215 2.528759 -1.504101
H 0.049940 0.479212 -2.840429
H -1.664496 0.977718 -2.826793
H -0.383717 2.131940 -2.339124
H -2.210506 -1.167604 1.153879
H -0.457791 -1.510597 0.999491
H 1.313021 -1.058726 -1.435945
H -4.501439 1.396932 0.985816
H -4.038280 3.109560 0.786406
H -5.236508 2.379749 -0.313242
H 2.620952 2.231360 2.064623
H 4.297587 0.590508 1.235869
H -3.142977 -2.950429 -1.203094
H -3.117485 -4.495863 -0.314948
H -3.845629 -3.037822 0.452592
H -1.511675 -4.909119 1.409426
H -0.372208 -3.627390 1.917001
H -2.098187 -3.542921 2.423000
H 5.649353 -0.434060 -0.435582
H 5.577472 -2.198551 -0.808092
H 5.139269 -1.609547 0.840520


