%chk=000198028.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198028

0 1
S -4.836101 -0.857121 -1.514486
O 2.740618 0.600308 1.121652
O 3.123006 -0.990260 -1.260890
O -6.566415 0.939846 1.435702
N -0.757474 0.478436 0.011779
N -4.461282 0.586162 0.639955
C -3.606809 -0.022191 -0.393520
C -2.844792 1.019342 -1.215092
C -2.671586 -1.093213 0.170483
C -1.653705 1.595982 -0.431822
C -1.485889 -0.465913 0.921477
C 0.480908 1.006916 0.662589
C 1.616191 0.004484 0.391466
C -6.315704 -0.371137 -0.593806
C -5.854966 0.440923 0.588478
C 1.965499 -0.125606 -1.093521
C 3.976801 0.086054 0.766861
C 4.169092 -0.677048 -0.407796
C 5.050242 0.371936 1.613528
C 5.432204 -1.178239 -0.730161
C 6.314766 -0.126051 1.279660
C 6.501717 -0.897498 0.127521
H -3.512874 1.843062 -1.537375
H -2.469507 0.550163 -2.151524
H -2.282743 -1.721847 -0.661095
H -3.214847 -1.786821 0.843203
H -1.067227 2.262404 -1.103629
H -2.014919 2.224946 0.409910
H -1.835944 0.016617 1.859487
H -0.778461 -1.270923 1.222378
H 0.760166 1.997557 0.239061
H 0.390228 1.170100 1.759517
H -4.029291 1.112580 1.395342
H 1.435596 -0.991148 0.851778
H -6.884508 -1.264891 -0.263841
H -7.002966 0.217238 -1.236106
H 1.180938 -0.655520 -1.666493
H 2.195610 0.845289 -1.563680
H 4.890420 0.966874 2.509737
H 5.565054 -1.771125 -1.632574
H 7.161049 0.088828 1.930267
H 7.491807 -1.282895 -0.111021


%chk=000198028-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198028

0 1
S -5.007155 -0.915557 -1.542837
O 2.757261 0.694965 1.078320
O 3.201507 -0.921604 -1.320578
O -6.490223 0.848109 1.730259
N -0.790794 0.569793 -0.101936
N -4.432111 0.532875 0.654426
C -3.660329 -0.051137 -0.454438
C -2.936439 1.029709 -1.288881
C -2.638274 -1.102497 0.036104
C -1.741105 1.631992 -0.514821
C -1.454844 -0.433311 0.768332
C 0.461885 1.104730 0.483197
C 1.639769 0.141086 0.271845
C -6.397608 -0.463330 -0.354394
C -5.801777 0.370945 0.786872
C 2.074627 0.027430 -1.193727
C 4.012443 0.105089 0.789232
C 4.223945 -0.693309 -0.369287
C 5.069001 0.326586 1.695591
C 5.482075 -1.288081 -0.593756
C 6.331653 -0.259636 1.461671
C 6.535157 -1.075812 0.321948
H -3.653062 1.820947 -1.570666
H -2.557858 0.561859 -2.216094
H -2.251773 -1.652401 -0.841163
H -3.141868 -1.827371 0.699514
H -1.210855 2.348464 -1.167544
H -2.116231 2.216092 0.368108
H -1.812492 0.037213 1.723338
H -0.724127 -1.209597 1.055135
H 0.705119 2.065488 -0.007756
H 0.375038 1.312389 1.576207
H -3.944630 1.077467 1.370420
H 1.408708 -0.872761 0.657171
H -6.859406 -1.372919 0.060895
H -7.165128 0.129637 -0.875815
H 1.261149 -0.379965 -1.811826
H 2.387214 1.020115 -1.576322
H 4.880190 0.949044 2.576056
H 5.615712 -1.901325 -1.490523
H 7.148892 -0.085564 2.169114
H 7.510651 -1.539241 0.142009


