%chk=000235451.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235451

0 1
S 3.446519 0.296182 0.486518
N -1.634460 0.444471 0.046998
N 0.262254 1.642588 0.560516
N -0.579630 -1.771070 -0.402926
N 1.891439 -1.674730 -0.144760
N 0.772658 -3.696324 -0.650559
C -0.566422 -0.448589 -0.054977
C -3.068086 0.118654 -0.088270
C 0.625673 0.319548 0.256416
C -1.067863 1.699703 0.446339
C 1.855855 -0.370927 0.187110
C -3.717951 -0.106757 1.273050
C 0.680553 -2.335312 -0.408160
C 3.178735 2.025514 0.892350
H -3.570257 0.947879 -0.636713
H -3.160303 -0.801357 -0.718594
H -1.685497 2.570891 0.610612
H -3.242946 -0.940141 1.811528
H -4.780764 -0.355078 1.164364
H -3.647015 0.775553 1.920143
H -0.028593 -4.179308 -1.027149
H 1.682836 -4.095076 -0.831420
H 2.545822 2.153927 1.782757
H 2.690094 2.577300 0.076137
H 4.159450 2.476957 1.087488


%chk=000235451-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235451

0 1
S 3.512888 0.271767 0.493450
N -1.627852 0.486876 0.075438
N 0.268328 1.701836 0.537819
N -0.629738 -1.723632 -0.344702
N 1.820785 -1.687715 -0.121277
N 0.679108 -3.646218 -0.688462
C -0.561599 -0.407234 -0.029567
C -3.052798 0.146226 -0.088633
C 0.618972 0.360487 0.255651
C -1.067714 1.729692 0.422864
C 1.840917 -0.366229 0.192412
C -3.718472 -0.269103 1.239131
C 0.615516 -2.306976 -0.374867
C 3.259574 2.100354 0.879612
H -3.565578 1.020056 -0.529926
H -3.103492 -0.683000 -0.815387
H -1.684491 2.614501 0.568784
H -3.217560 -1.156664 1.661845
H -4.780656 -0.520301 1.066951
H -3.672221 0.545916 1.982956
H -0.178119 -4.153979 -0.885632
H 1.587585 -4.099877 -0.717481
H 2.628432 2.222622 1.768711
H 2.793615 2.611944 0.027954
H 4.276671 2.483152 1.061153


