%chk=000240371.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240371

0 1
S 1.083226 -1.703233 0.492560
O 0.328547 -1.988383 1.694443
O 2.177097 -2.551287 0.108727
O 2.526314 -0.441493 -2.185870
O 4.452844 0.287047 -1.506651
N 0.012381 -1.653401 -0.846620
N 1.276234 0.848429 1.613188
N 2.802852 1.896065 0.298931
N 3.265644 0.113331 -1.384331
C 1.650147 -0.065064 0.638542
C -0.785362 -0.479526 -1.092048
C -1.898315 -0.169573 -0.227608
C -2.640109 1.012751 -0.498107
C 2.593737 0.612165 -0.160938
C -0.484777 0.325967 -2.174784
C 1.986306 2.030018 1.383120
C -2.310924 -1.003594 0.858765
C -2.299554 1.832968 -1.619889
C 0.271950 0.645794 2.658604
C -1.258628 1.485904 -2.443106
C -3.736661 1.363411 0.353725
C -3.371616 -0.648525 1.654410
C -4.090287 0.555376 1.404396
H 0.345747 -2.102343 -1.721190
H 0.358535 0.093292 -2.831665
H 1.899203 2.926624 1.984911
H -1.773977 -1.941168 1.047807
H -2.889145 2.728202 -1.811404
H 0.271751 -0.409954 3.033005
H 0.448020 1.310751 3.520291
H -0.751655 0.831055 2.266240
H -0.998940 2.095760 -3.309317
H -4.288376 2.278065 0.141307
H -3.686202 -1.288667 2.477799
H -4.927309 0.812537 2.052657


%chk=000240371-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240371

0 1
S 0.560746 -0.224991 1.012500
O -0.252002 1.183978 1.300959
O 0.504180 -1.368676 2.195402
O 2.141577 0.098529 -1.770822
O 4.351590 0.612031 -2.031719
N -0.377693 -1.133551 -0.939799
N 2.974885 0.652431 2.309110
N 4.598758 0.980351 0.745438
N 3.321072 0.417042 -1.298598
C 2.400947 0.344961 1.080288
C -1.344342 -0.244118 -1.345848
C -2.653286 -0.300038 -0.690623
C -3.706185 0.570711 -1.163851
C 3.421716 0.559719 0.134661
C -1.128508 0.698847 -2.405037
C 4.298404 1.027752 2.054761
C -2.912112 -1.181757 0.394737
C -3.445608 1.457451 -2.256423
C 2.308831 0.625017 3.627788
C -2.178669 1.515836 -2.871105
C -4.990511 0.530175 -0.526269
C -4.177266 -1.200735 1.001171
C -5.221141 -0.340637 0.542140
H 0.502857 -1.026312 -1.491932
H -0.128353 0.765018 -2.850084
H 4.982941 1.325878 2.845213
H -2.110146 -1.839503 0.742674
H -4.252302 2.112001 -2.608551
H 1.992750 -0.402778 3.864557
H 3.017356 0.998213 4.383019
H 1.415014 1.270338 3.602644
H -2.003065 2.211643 -3.697459
H -5.785212 1.193333 -0.887298
H -4.367379 -1.880687 1.838360
H -6.201144 -0.368172 1.029897


