%chk=000219179.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219179

0 1
S 0.542187 1.532694 1.101221
O 0.289999 2.929053 0.669546
O -5.191310 -0.210257 -0.734560
O -4.568919 1.741408 -0.040963
N 1.006607 -1.300751 -0.059090
N -4.344249 0.580827 -0.343887
C -0.324329 -0.844364 -0.053221
C 2.119236 -0.399215 -0.120112
C -0.647652 0.478164 0.312799
C 1.990030 0.939446 0.270434
C 1.273874 -2.771603 0.006843
C -1.378951 -1.718850 -0.447398
C -1.944328 0.960883 0.194045
C 3.362370 -0.850184 -0.620347
C 3.048981 1.835522 0.105592
C -2.966765 0.094776 -0.227067
C 1.298109 -3.251123 1.453542
C -2.676728 -1.252425 -0.536068
C 4.422503 0.043627 -0.751206
C 4.271054 1.391571 -0.400166
H 0.493884 -3.318192 -0.576567
H 2.245009 -2.996779 -0.496964
H -1.160096 -2.756222 -0.705593
H -2.181624 2.012684 0.427385
H 3.492517 -1.890375 -0.920870
H 2.913008 2.891460 0.367972
H 2.070787 -2.738547 2.042144
H 0.340360 -3.075846 1.961413
H 1.505195 -4.327190 1.509244
H -3.493039 -1.914183 -0.852617
H 5.378593 -0.309799 -1.141078
H 5.098788 2.086691 -0.525405


%chk=000219179-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219179

0 1
S 0.674610 1.466747 1.496379
O 0.335089 3.069250 1.181527
O -5.062242 -0.199507 -0.964902
O -4.418951 1.850348 -0.185911
N 1.145213 -1.344052 0.261245
N -4.180121 0.614358 -0.477958
C -0.199486 -0.912725 0.161023
C 2.195355 -0.409018 -0.035067
C -0.568419 0.412877 0.528338
C 2.086798 0.950141 0.347409
C 1.448990 -2.800079 0.300938
C -1.228128 -1.744686 -0.376956
C -1.839166 0.946254 0.313941
C 3.334978 -0.773912 -0.804444
C 3.011800 1.932850 -0.029047
C -2.819741 0.096788 -0.244866
C 0.815240 -3.503240 1.518032
C -2.525611 -1.248049 -0.569225
C 4.301420 0.194301 -1.152113
C 4.142563 1.550946 -0.785745
H 1.143686 -3.294144 -0.644771
H 2.543284 -2.898412 0.376532
H -1.001080 -2.768498 -0.685390
H -2.066017 1.985346 0.577414
H 3.449625 -1.798024 -1.171950
H 2.831534 2.972668 0.267906
H 1.181803 -3.052838 2.456454
H -0.285689 -3.441313 1.515973
H 1.095595 -4.571965 1.513815
H -3.314831 -1.873832 -0.994106
H 5.170958 -0.112661 -1.743287
H 4.886042 2.296979 -1.082186


