%chk=000210813.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210813

0 1
S 2.719095 1.064422 1.172455
O 0.429638 -0.392746 -1.635601
N -0.139881 0.207523 0.509856
N 4.523403 -0.300367 -0.148486
N 5.431606 1.001097 1.668562
C -1.568351 0.114362 0.322675
C -2.228972 0.949395 -0.607819
C -2.304634 -0.799177 1.113629
C -4.360649 -0.021898 0.069309
C -3.624045 0.867356 -0.722096
C -3.696537 -0.850101 0.985973
C -1.472324 1.900201 -1.471549
C -1.616579 -1.703523 2.085836
C 0.783755 -0.087494 -0.505842
C -5.846530 -0.103150 -0.074295
C 2.189275 0.022423 -0.108947
C 3.266266 -0.610645 -0.704014
C 3.213286 -1.559582 -1.834038
C 4.412427 0.567321 0.864354
H -4.137434 1.501932 -1.441149
H -4.267721 -1.546012 1.595290
H 0.157587 0.287212 1.480741
H -0.759023 2.503088 -0.893477
H -0.877365 1.335405 -2.218212
H -2.120412 2.589557 -2.023434
H -0.767882 -2.225590 1.618725
H -1.233845 -1.147230 2.952004
H -2.286446 -2.481544 2.476714
H -6.341385 -0.396184 0.860658
H -6.288087 0.852171 -0.387155
H -6.118609 -0.850633 -0.834925
H 2.255263 -1.474889 -2.388065
H 4.033560 -1.393661 -2.550901
H 3.303336 -2.601516 -1.486852
H 5.312536 1.836084 2.221135
H 6.384479 0.785790 1.395442


%chk=000210813-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210813

0 1
S 2.674891 0.890365 1.387169
O 0.435457 -0.562612 -1.707756
N -0.165153 0.120991 0.452727
N 4.559210 -0.247970 -0.147453
N 5.449446 0.857801 1.773733
C -1.592685 0.077577 0.292087
C -2.247076 0.860165 -0.702661
C -2.341492 -0.728245 1.200361
C -4.430049 -0.010743 0.092436
C -3.659231 0.789342 -0.783477
C -3.749660 -0.752349 1.088823
C -1.480120 1.769675 -1.638847
C -1.638595 -1.556673 2.262295
C 0.777303 -0.178481 -0.542664
C -5.941365 -0.085097 -0.041816
C 2.194162 -0.029669 -0.139747
C 3.336218 -0.522008 -0.779257
C 3.373708 -1.320138 -2.054078
C 4.415323 0.452052 0.968774
H -4.167930 1.390271 -1.548136
H -4.326254 -1.373796 1.785568
H 0.181657 0.194239 1.413739
H -0.685236 2.322513 -1.104232
H -0.977345 1.178549 -2.426044
H -2.153832 2.501387 -2.116500
H -0.838265 -2.179896 1.821950
H -1.168795 -0.927035 3.045791
H -2.351659 -2.225574 2.772451
H -6.423527 -0.322117 0.923067
H -6.362910 0.867146 -0.409945
H -6.238380 -0.873795 -0.760584
H 2.358431 -1.518026 -2.423609
H 3.932683 -0.759808 -2.826344
H 3.916122 -2.267610 -1.883792
H 5.297075 1.394112 2.622371
H 6.396675 0.614854 1.490104


