%chk=000225982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225982

0 1
S 0.521643 2.697469 0.090844
O -1.068874 -0.985711 1.191612
O 0.831997 -1.186035 -1.367391
N -1.540159 0.932766 0.008663
N 1.889682 0.354802 -0.022314
N -2.231787 -1.215128 -0.797440
N 1.826250 -1.965420 0.572895
C -0.811981 1.770550 0.949835
C 1.490203 1.467611 -0.870866
C -1.553816 -0.462625 0.192221
C 1.447217 -0.944802 -0.332544
H -1.465044 2.557248 1.394412
H -0.383107 1.158546 1.781063
H 2.371584 2.034130 -1.252028
H 0.896754 1.108959 -1.747543
H -2.010638 1.384948 -0.768918
H 2.470430 0.554574 0.785942
H -2.175527 -0.906017 -1.760401
H -2.092510 -2.220754 -0.719020
H 1.365241 -2.857831 0.405961
H 1.862443 -1.744480 1.560715


%chk=000225982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225982

0 1
S 0.590191 2.065983 1.271905
O -2.972375 0.205651 1.756923
O 0.524617 -0.709974 -1.453781
N -1.502966 0.611187 -0.039784
N 2.253484 0.259088 -0.194134
N -2.363246 -1.533341 0.313892
N 2.246790 -2.048272 -0.651941
C -1.148387 1.924569 0.392572
C 1.709726 1.611092 -0.208766
C -2.319255 -0.210925 0.752547
C 1.615595 -0.820347 -0.794328
H -1.091391 2.633076 -0.448525
H -1.856176 2.271150 1.161123
H 2.540911 2.332430 -0.186794
H 1.123453 1.753369 -1.130021
H -0.902381 0.170838 -0.759542
H 3.023839 0.078301 0.451420
H -1.800242 -1.866870 -0.467312
H -2.979200 -2.170668 0.810278
H 1.802035 -2.850842 -1.089801
H 3.144978 -2.172693 -0.190232


