%chk=000244067.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244067

0 1
S 1.423351 1.529836 -0.000185
N 2.736058 -0.742312 0.000072
N 4.158465 1.199866 -0.000271
C 0.508497 0.038531 0.000163
C -0.942744 0.101464 0.000230
C 1.353522 -1.043405 0.000374
C -1.647012 0.133554 1.216227
C -1.647252 0.130380 -1.215710
C 0.949703 -2.469814 0.000778
C 2.943878 0.576647 -0.000228
C -3.042360 0.195074 1.211243
C -3.042598 0.191901 -1.210614
C -3.741851 0.224373 0.000344
H -1.100736 0.111368 2.157776
H -1.101154 0.105784 -2.157301
H 0.343570 -2.711641 -0.885768
H 1.821203 -3.144635 0.001292
H 0.343012 -2.711007 0.887115
H -3.586577 0.220755 2.153875
H -3.587008 0.215107 -2.153198
H -4.828652 0.272854 0.000384
H 4.235629 2.199625 -0.001275
H 5.006856 0.654295 -0.000622


%chk=000244067-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244067

0 1
S 1.503052 1.659053 0.000473
N 2.760874 -0.710612 -0.000238
N 4.264399 1.151499 0.000327
C 0.526408 0.100725 0.000185
C -0.957242 0.135174 0.000356
C 1.378810 -0.994645 -0.000208
C -1.682802 0.148430 1.222983
C -1.683119 0.143077 -1.222128
C 0.935689 -2.440652 -0.000450
C 3.004858 0.591169 0.000133
C -3.095721 0.160057 1.223603
C -3.096042 0.154659 -1.222433
C -3.806466 0.162939 0.000664
H -1.129615 0.148737 2.168984
H -1.130175 0.139328 -2.168265
H 0.324809 -2.679354 -0.889590
H 1.826033 -3.088776 -0.000003
H 0.323875 -2.679326 0.888052
H -3.640328 0.167889 2.174626
H -3.640895 0.158330 -2.173339
H -4.902401 0.173589 0.000784
H 4.408590 2.156022 0.000138
H 5.063206 0.521288 0.000048


