%chk=000252878.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252878

0 1
S -1.046907 -2.646067 -0.043652
N -0.523385 -0.052931 -0.033085
N 1.375552 -1.530004 -0.055659
N -0.331399 2.267207 -0.021476
C 2.277922 -0.435497 -0.055987
C 1.756270 0.879134 -0.044625
C 0.297314 1.138087 -0.032422
C -0.009699 -1.343221 -0.044155
C -1.986848 0.095717 -0.021240
C 3.678923 -0.638136 -0.067450
C 2.653937 1.965579 -0.044999
C 1.867190 -2.934361 -0.067322
C 4.537037 0.451377 -0.067527
C 4.027291 1.761257 -0.056270
C -2.670670 0.181686 -1.241645
C -2.652243 0.168237 1.210202
C -4.059668 0.334372 -1.217478
C -4.041405 0.321068 1.208599
C -4.743382 0.403208 0.001171
H 4.082149 -1.652946 -0.076207
H 2.264446 2.986169 -0.036277
H 1.503945 -3.479235 0.826910
H 2.968950 -2.975431 -0.075857
H 1.490357 -3.469059 -0.962062
H 5.617192 0.292909 -0.076385
H 4.710325 2.608958 -0.056438
H -2.133444 0.127254 -2.186043
H -2.100858 0.103488 2.145743
H 0.185747 3.138878 -0.020464
H -4.610030 0.399077 -2.154928
H -4.577653 0.375461 2.154843
H -5.825258 0.520567 0.009985


%chk=000252878-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000252878

0 1
S -1.060912 -2.780069 -0.045698
N -0.516491 -0.106929 -0.034096
N 1.385220 -1.565671 -0.056459
N -0.382942 2.226712 -0.022074
C 2.275802 -0.459583 -0.056257
C 1.740815 0.866037 -0.044678
C 0.270698 1.088569 -0.033043
C -0.014576 -1.416429 -0.045335
C -1.970746 0.073622 -0.021925
C 3.691975 -0.621530 -0.067265
C 2.624275 1.974212 -0.044358
C 1.881688 -2.962954 -0.067861
C 4.545977 0.495445 -0.066675
C 4.018267 1.808092 -0.055156
C -2.665085 0.182864 -1.242675
C -2.645514 0.170700 1.210752
C -4.063077 0.375856 -1.228242
C -4.043515 0.363685 1.220522
C -4.755049 0.464484 0.002210
H 4.149568 -1.611613 -0.076395
H 2.207470 2.987915 -0.035504
H 1.507651 -3.498870 0.819633
H 2.976613 -2.979169 -0.074521
H 1.496909 -3.488286 -0.957097
H 5.629656 0.337233 -0.075229
H 4.682397 2.677374 -0.054679
H -2.117084 0.111809 -2.187656
H -2.082554 0.090635 2.146165
H 0.240683 3.054218 -0.021828
H -4.610225 0.456373 -2.173891
H -4.575552 0.434852 2.175501
H -5.840644 0.613217 0.011615


