%chk=000240368.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240368

0 1
S 0.441328 -1.328321 -1.057820
O -0.289849 -2.471176 -0.542189
O 1.422126 -1.502223 -2.092707
O 1.539100 1.658034 -1.533487
O 3.606517 1.772564 -0.893196
N 1.217970 -1.069671 1.632313
N -0.654026 -0.140891 -1.595341
N 2.600068 0.732355 1.617340
N 2.471025 1.383180 -0.784039
C 1.249632 -0.615058 0.325836
C -1.614677 0.403260 -0.664866
C 2.115210 0.498604 0.343678
C -2.815546 -0.292786 -0.390966
C 2.041776 -0.230929 2.397401
C 0.455527 -2.196611 2.172544
C -1.362774 1.656915 -0.078059
C -3.725272 0.285306 0.510298
C -3.130248 -1.596658 -1.037042
C -2.287870 2.213031 0.804016
C -3.466616 1.521729 1.103625
H -0.292352 0.571161 -2.262028
H 2.206678 -0.343498 3.461931
H -0.404345 -1.840309 2.771399
H 0.032221 -2.848193 1.362503
H 1.092416 -2.838708 2.806750
H -0.446476 2.198829 -0.325461
H -4.654484 -0.236475 0.737903
H -2.994955 -1.543818 -2.129279
H -2.447634 -2.395634 -0.686343
H -4.155008 -1.935400 -0.849197
H -2.093361 3.185106 1.254268
H -4.189400 1.953682 1.794418


%chk=000240368-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240368

0 1
S 0.326169 -1.419637 -0.896909
O -0.612858 -2.491250 -0.100954
O 1.335075 -1.938707 -2.047936
O 1.652040 1.305154 -1.637167
O 3.416498 2.291826 -0.576425
N 1.640415 -1.188284 1.762627
N -0.919966 -0.040868 -1.693352
N 3.028220 0.617688 1.637040
N 2.486938 1.415682 -0.637528
C 1.442533 -0.626661 0.499760
C -1.858654 0.492832 -0.777939
C 2.315956 0.480038 0.454357
C -3.103521 -0.200537 -0.578368
C 2.601235 -0.399923 2.404464
C 0.995123 -2.369671 2.381513
C -1.612592 1.745522 -0.130376
C -4.058243 0.405498 0.274022
C -3.403730 -1.505450 -1.278999
C -2.587193 2.326323 0.697597
C -3.812030 1.644497 0.908706
H -0.192301 0.650770 -1.978343
H 2.947035 -0.610768 3.413817
H 0.215231 -2.041942 3.089176
H 0.520261 -2.979452 1.600273
H 1.763225 -2.952100 2.914721
H -0.659947 2.258948 -0.312492
H -5.018937 -0.098801 0.428928
H -3.002042 -1.496285 -2.306753
H -2.909073 -2.348233 -0.762686
H -4.489596 -1.697010 -1.309454
H -2.400981 3.293450 1.175685
H -4.577588 2.084746 1.557201


