%chk=000224574.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224574

0 1
S 1.949408 1.849499 -0.074919
O 3.056789 2.403777 -0.838763
O 1.292622 2.666702 0.910060
N 0.832182 1.578935 -1.411471
N -0.695029 0.391689 -0.102733
N -2.506034 0.250657 -2.302890
N 3.438900 -3.430785 2.052524
C 2.363683 0.322346 0.530237
C -0.402361 0.949642 -1.289782
C -1.348966 0.872877 -2.429609
C -1.921984 -0.255384 0.026825
C -2.826662 -0.329540 -1.073397
C 3.448059 -0.383056 -0.021224
C 1.639627 -0.243395 1.594803
C 3.806668 -1.630946 0.461022
C 1.977037 -1.490689 2.100959
C -1.009880 1.500971 -3.739339
C 3.067269 -2.198991 1.534283
C -2.279846 -0.851775 1.273622
C -4.076051 -1.000290 -0.918444
C -3.491859 -1.490395 1.392507
C -4.393929 -1.567425 0.293373
H 1.050502 2.007821 -2.320092
H 4.023088 0.065515 -0.841868
H 0.796912 0.311466 2.031507
H 4.648488 -2.164260 0.030810
H 1.411943 -1.916033 2.924253
H -0.867998 2.587426 -3.641912
H -0.102984 1.062760 -4.179146
H -1.820828 1.355331 -4.476055
H -1.581980 -0.778721 2.106641
H -4.753008 -1.043934 -1.773099
H -3.783417 -1.948025 2.338116
H -5.343645 -2.082172 0.431506
H 2.861094 -3.899166 2.727594
H 4.129692 -3.995432 1.591404


%chk=000224574-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224574

0 1
S 1.883013 1.763334 -0.071433
O 3.073727 2.465838 -0.935557
O 1.101083 2.581271 1.085138
N 0.726607 1.330773 -1.486920
N -0.898602 0.289049 -0.142123
N -2.708417 0.346651 -2.364695
N 4.009619 -3.443288 2.137977
C 2.498450 0.138094 0.586843
C -0.556278 0.828049 -1.328168
C -1.477534 0.861442 -2.473812
C -2.178219 -0.235038 -0.026941
C -3.094369 -0.209789 -1.145919
C 3.698420 -0.368203 0.054545
C 1.784458 -0.498260 1.617826
C 4.202525 -1.570899 0.576441
C 2.297106 -1.697464 2.137235
C -1.058569 1.467388 -3.791616
C 3.509452 -2.254707 1.622909
C -2.606933 -0.804843 1.209963
C -4.404930 -0.751749 -1.003835
C -3.898417 -1.331563 1.326695
C -4.802204 -1.307019 0.218013
H 0.996516 1.876193 -2.312698
H 4.228344 0.180556 -0.730456
H 0.850798 -0.063041 1.984324
H 5.137413 -1.984705 0.181740
H 1.760434 -2.213423 2.941464
H -0.790193 2.537020 -3.682121
H -0.182682 0.943764 -4.222041
H -1.895021 1.392346 -4.502626
H -1.906276 -0.808173 2.050887
H -5.073969 -0.714950 -1.869290
H -4.225724 -1.764795 2.278369
H -5.809152 -1.722526 0.331160
H 3.525268 -3.934136 2.884259
H 4.871758 -3.846196 1.781765


