%chk=000200693.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200693

1 1
O 3.537463 2.842238 -0.171185
N 1.568043 -0.743450 0.643576
N 5.580473 1.883557 0.164762
C -3.330249 -0.036016 -0.213729
C -2.263346 -0.422686 0.820565
C -4.736070 -0.071188 0.401668
C -0.859358 -0.387778 0.198189
C -5.804283 0.315692 -0.629990
C 0.193285 -0.773161 1.245950
C -7.212149 0.281246 -0.017798
C -8.278291 0.665400 -1.040000
C 2.276495 0.430642 0.616965
C 2.096247 -1.887407 0.075117
C 3.551396 0.478727 0.030764
C 3.353465 -1.858174 -0.523349
C 4.094579 -0.666362 -0.554805
C 4.212939 1.846418 -0.003821
H -3.288888 -0.720576 -1.083653
H -3.126789 0.976515 -0.615292
H -2.321552 0.268610 1.685362
H -2.486007 -1.431956 1.220842
H -4.790599 0.615669 1.268974
H -4.953186 -1.080869 0.801707
H -0.822539 -1.074887 -0.671970
H -0.660663 0.626308 -0.208061
H -5.760830 -0.367637 -1.500086
H -5.598884 1.326936 -1.031752
H -0.012396 -1.790332 1.659531
H 0.154414 -0.076508 2.119610
H -7.427129 -0.729310 0.382154
H -7.264804 0.967658 0.850327
H -9.280624 0.638841 -0.594977
H -8.124334 1.678513 -1.429191
H -8.286943 -0.017483 -1.897308
H 1.822148 1.348987 1.046616
H 1.493560 -2.812422 0.106052
H 3.758080 -2.775219 -0.977661
H 5.076428 -0.642202 -1.047220
H 6.053756 2.784869 0.155436
H 6.148942 1.088598 0.398881


%chk=000200693-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200693

1 1
O 3.445651 2.857613 0.469268
N 1.623843 -0.804925 0.720649
N 5.502880 2.016994 -0.211770
C -3.330803 -0.061004 -0.213220
C -2.258457 -0.490958 0.815098
C -4.762941 -0.099105 0.367625
C -0.830341 -0.449609 0.220728
C -5.837752 0.353247 -0.646648
C 0.221778 -0.841786 1.281393
C -7.270346 0.317979 -0.066102
C -8.339207 0.778667 -1.079903
C 2.297970 0.385352 0.683661
C 2.180743 -1.946691 0.188213
C 3.585117 0.481464 0.118793
C 3.454206 -1.905720 -0.393200
C 4.169767 -0.685436 -0.429826
C 4.182545 1.882404 0.137423
H -3.278571 -0.721702 -1.103041
H -3.108771 0.965896 -0.569704
H -2.315528 0.176511 1.699282
H -2.486173 -1.515242 1.174864
H -4.813702 0.550498 1.266093
H -4.995012 -1.128325 0.712013
H -0.766864 -1.138488 -0.644674
H -0.616780 0.570019 -0.156325
H -5.793296 -0.293840 -1.547438
H -5.610005 1.383593 -0.991014
H 0.041601 -1.863134 1.658957
H 0.190196 -0.147947 2.139079
H -7.501685 -0.711988 0.273997
H -7.314014 0.961207 0.836371
H -9.352019 0.744270 -0.639807
H -8.151940 1.817007 -1.412278
H -8.340801 0.133489 -1.978503
H 1.816823 1.277509 1.095330
H 1.584343 -2.859271 0.247777
H 3.876446 -2.822254 -0.811177
H 5.158740 -0.666217 -0.897783
H 5.897636 2.959609 -0.210032
H 6.126525 1.240115 -0.422971


