%chk=000180462.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180462

0 1
S 4.170392 -1.586261 -1.180792
S 4.195004 -0.152885 0.307974
O -1.470767 -2.613414 0.003423
N 1.719421 -1.835702 0.026269
N 1.456518 -0.499433 0.172625
N 2.324520 1.724116 0.332126
N 1.455008 -4.065826 0.010225
N 2.643696 -3.818870 -0.541566
C 0.848378 -2.890014 0.381468
C -0.476737 -2.769809 1.048001
C 2.846197 -2.471789 -0.557065
C -2.260568 -1.478612 -0.012050
C -4.081648 0.613812 -0.254152
C 2.464567 0.356746 0.250320
C -2.300561 -0.495543 0.979555
C -3.104518 -1.430476 -1.141122
C 1.108085 2.490787 0.272210
C -3.224729 0.546908 0.851200
C -4.009279 -0.382149 -1.249483
C -5.076411 1.721589 -0.385675
C 1.200192 3.825790 0.723956
C -0.093507 1.992567 -0.247975
C 0.081357 4.652504 0.637179
C -1.200597 2.843537 -0.330624
C -1.120461 4.167033 0.107757
H -0.760937 -3.733710 1.529145
H -0.502031 -1.942489 1.784744
H -1.627121 -0.530730 1.832962
H -3.035600 -2.211972 -1.895434
H -3.270842 1.311228 1.626361
H -4.672741 -0.331599 -2.112576
H 3.181552 2.271496 0.481084
H -5.041200 2.184397 -1.381180
H -4.920271 2.520982 0.349409
H -6.100328 1.346485 -0.238227
H 2.126994 4.215157 1.138390
H -0.188233 0.957681 -0.589798
H 0.145330 5.683970 0.984114
H -2.136505 2.458327 -0.743904
H -1.987922 4.819971 0.038130


%chk=000180462-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180462

0 1
S 4.637033 -2.028833 -0.685050
S 4.557939 -0.242661 0.837141
O -1.083858 -1.654663 -0.394010
N 1.970094 -1.852740 0.090681
N 1.840131 -0.468474 -0.029087
N 2.765042 1.686585 0.197368
N 1.348712 -3.989837 0.399548
N 2.731185 -3.985373 0.065932
C 0.914738 -2.705562 0.419261
C -0.450521 -2.251775 0.799435
C 3.078143 -2.686820 -0.123577
C -2.334237 -1.030342 -0.205157
C -4.850870 0.307212 -0.062010
C 2.871300 0.310029 0.248001
C -3.062068 -1.025101 1.007773
C -2.855434 -0.372972 -1.347414
C 1.600662 2.504292 0.072402
C -4.308284 -0.355855 1.063665
C -4.097033 0.284155 -1.268709
C -6.199528 1.003916 0.001029
C 1.792645 3.904228 0.240423
C 0.305458 1.993602 -0.208285
C 0.698874 4.784069 0.136068
C -0.781335 2.890576 -0.299855
C -0.597602 4.281232 -0.130351
H -1.023099 -3.131365 1.147675
H -0.401482 -1.493737 1.607606
H -2.687974 -1.532956 1.901878
H -2.276808 -0.394057 -2.276301
H -4.866947 -0.357893 2.007361
H -4.492204 0.785536 -2.160905
H 3.652080 2.191758 0.267054
H -6.146728 2.029347 -0.409668
H -6.569607 1.075010 1.038451
H -6.962094 0.457890 -0.587069
H 2.792838 4.299755 0.461065
H 0.162608 0.923567 -0.363250
H 0.857667 5.859680 0.268281
H -1.777236 2.486431 -0.512624
H -1.448500 4.965946 -0.207774


