%chk=000200716.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200716

0 1
P 3.004221 -0.518949 0.248629
O 2.806770 -0.922165 1.673410
N 3.745282 -1.744070 -0.784577
N 4.053896 0.888508 0.036272
N 1.529244 -0.119834 -0.612844
C 4.647838 -2.761631 -0.162883
C 5.205451 -1.718782 -1.106460
C 4.149811 1.863167 1.167068
C 3.467263 2.254442 -0.125299
C 0.307516 -0.715512 0.010079
C -0.916441 0.084455 -0.469957
C -2.203267 -0.443362 0.175529
C -3.430273 0.346914 -0.298976
C -4.718961 -0.177701 0.348581
C -5.946327 0.611244 -0.126439
C -7.236166 0.088005 0.521288
C -8.461420 0.869425 0.052006
H 4.886089 -2.744324 0.906664
H 4.485956 -3.789290 -0.508385
H 5.446627 -1.984857 -2.141981
H 5.864024 -0.921805 -0.744494
H 3.577568 1.730338 2.093096
H 5.164910 2.214720 1.384318
H 3.986147 2.889036 -0.852761
H 2.384595 2.418489 -0.163225
H 1.544564 -0.291120 -1.636411
H 0.178661 -1.792554 -0.242885
H 0.378667 -0.658275 1.125258
H -0.995461 0.038466 -1.572704
H -0.775712 1.156398 -0.225982
H -2.333705 -1.517299 -0.060669
H -2.123153 -0.385268 1.279008
H -3.512852 0.289300 -1.401450
H -3.300837 1.420775 -0.062168
H -4.637151 -0.118309 1.451192
H -4.848183 -1.251907 0.113996
H -6.030219 0.552592 -1.228581
H -5.818899 1.685585 0.107823
H -7.154575 0.148489 1.624279
H -7.366064 -0.986622 0.286587
H -9.376580 0.488362 0.518748
H -8.382855 1.932964 0.304471
H -8.593301 0.799659 -1.033671


%chk=000200716-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200716

0 1
P 2.909157 -0.490779 -0.026943
O 2.659862 -0.619405 1.561162
N 4.320526 -1.333694 -0.730081
N 3.218372 1.171537 -0.640555
N 1.606235 -1.106771 -0.954655
C 4.801003 -2.582373 -0.018364
C 5.629924 -1.311244 0.032810
C 3.920501 2.145050 0.291829
C 2.434582 2.288078 0.024247
C 0.296416 -1.456759 -0.375791
C -0.810129 -0.409819 -0.641196
C -2.179065 -0.845229 -0.071854
C -3.290686 0.205568 -0.292903
C -4.667706 -0.237401 0.251104
C -5.775764 0.820088 0.045314
C -7.156576 0.371688 0.576544
C -8.256728 1.434960 0.368110
H 4.283435 -2.877389 0.903325
H 5.085693 -3.396291 -0.691317
H 6.514637 -1.203666 -0.601432
H 5.664389 -0.782721 0.994039
H 4.205703 1.787153 1.289325
H 4.637215 2.803082 -0.208250
H 2.070766 3.050324 -0.671012
H 1.758051 2.024231 0.847767
H 1.718798 -1.140864 -1.968771
H -0.018574 -2.441140 -0.777874
H 0.440665 -1.580700 0.714060
H -0.900020 -0.235185 -1.733357
H -0.505696 0.555984 -0.189596
H -2.485449 -1.804820 -0.539307
H -2.078325 -1.046524 1.015130
H -3.378629 0.423759 -1.377973
H -2.994101 1.158773 0.192461
H -4.577809 -0.467153 1.333586
H -4.969210 -1.184780 -0.243223
H -5.860518 1.057926 -1.035997
H -5.480337 1.764757 0.548359
H -7.071179 0.133174 1.656539
H -7.451082 -0.571557 0.072629
H -9.232325 1.092983 0.760207
H -7.997155 2.379032 0.883708
H -8.386169 1.665815 -0.706304


