%chk=000039064.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039064

0 1
 O    5.275300      0.9391000     -0.5793000    
 N    1.153600     -9.1399997E-02 -0.4082000    
 N    5.540400      0.3456000       1.626200    
 C   0.2608000      0.2751000      -1.521700    
 C   -1.224700      7.2800003E-02  -1.086600    
 C   -1.456600      -1.245300     -0.3633000    
 C    1.048100      -1.505200     -3.0200001E-02
 C  -0.3749000      -1.973900      0.1624000    
 C    2.543600      0.2948000     -0.6291000    
 C   0.5449000     -0.4647000      -2.842800    
 C   -1.734700       1.280000     -0.3013000    
 C   -2.762200      -1.735800     -0.2000000    
 C  -0.6162000      -3.184600      0.8280000    
 C    3.354700      0.1096000      0.6490000    
 C   -1.593000       1.309300       1.080300    
 C   -2.335000       2.334600     -0.9775000    
 C   -2.989800      -2.935700      0.4725000    
 C   -1.917600      -3.659600      0.9859000    
 C   -2.058900       2.411400       1.797400    
 C   -2.800900       3.436600     -0.2606000    
 C    4.805900      0.5124000      0.4717000    
 C   -2.662800       3.475000       1.126900    
 H   0.4036000       1.343600      -1.736800    
 H   -1.829900      1.3800000E-02  -2.004100    
 H    1.529200      -1.668100      0.9391000    
 H    1.533900      -2.155900     -0.7682000    
 H    3.000400     -0.2834000      -1.441800    
 H    2.594000       1.351300     -0.9215000    
 H   0.3962000      -1.545600      -2.759100    
 H  -0.1266000     -0.1022000      -3.629500    
 H    1.566500     -0.2864000      -3.192100    
 H   -3.610100      -1.183200     -0.5976000    
 H   0.2121000      -3.766100       1.225500    
 H    2.928100      0.7042000       1.466000    
 H    3.390600     -0.9377000      0.9663000    
 H   -1.114300      0.5066000       1.632200    
 H   -2.445500       2.316800      -2.058000    
 H   -4.003600      -3.306200      0.5936000    
 H   -2.093800      -4.596800       1.505800    
 H   -1.948200       2.443200       2.877400    
 H   -3.270300       4.265200     -0.7826000    
 H   -3.024400       4.333600       1.685100    
 H    6.528100      0.5757000       1.653900    
 H    5.130100     -8.2000000E-03   2.484600    


%chk=000039064-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039064

0 1
O 4.850554 1.812162 -0.363029
N 1.130380 -0.308982 -0.473111
N 5.445912 0.860832 1.663690
C 0.246854 0.085221 -1.602779
C -1.240486 0.013557 -1.123755
C -1.528970 -1.323916 -0.439727
C 0.977429 -1.719829 -0.072789
C -0.480870 -2.136558 0.063847
C 2.538513 0.117868 -0.603464
C 0.461910 -0.731787 -2.908476
C -1.602757 1.226653 -0.257907
C -2.870066 -1.766410 -0.301107
C -0.791826 -3.372128 0.686161
C 3.194404 0.376325 0.770765
C -1.327767 1.263661 1.132770
C -2.184256 2.370243 -0.863734
C -3.175418 -2.993509 0.320603
C -2.126680 -3.805042 0.817740
C -1.619848 2.417331 1.894215
C -2.478124 3.526190 -0.105671
C 4.554026 1.072786 0.621816
C -2.194633 3.554060 1.279199
H 0.474873 1.146032 -1.818128
H -1.868629 0.069412 -2.036661
H 1.486301 -1.870066 0.899293
H 1.485253 -2.414611 -0.794580
H 3.156689 -0.619644 -1.172667
H 2.577856 1.064831 -1.168861
H 0.139997 -1.782411 -2.791079
H -0.122986 -0.291805 -3.737188
H 1.526000 -0.724040 -3.208269
H -3.679064 -1.131262 -0.682869
H 0.023559 -3.998124 1.071699
H 2.519638 1.042057 1.344138
H 3.305028 -0.557391 1.355222
H -0.887150 0.384040 1.612270
H -2.410596 2.354716 -1.938159
H -4.217562 -3.317603 0.417869
H -2.350496 -4.761530 1.303284
H -1.402593 2.429770 2.968785
H -2.929718 4.398885 -0.591489
H -2.423456 4.447257 1.871731
H 6.346097 1.340060 1.639225
H 5.218778 0.267000 2.459077


