%chk=000200162.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200162

0 1
S -2.505290 -0.561665 -1.702389
O 0.735614 -0.017213 -0.310549
N 3.806804 -0.808240 -0.131345
C -0.275103 0.418072 0.635338
C -0.978146 1.673263 0.162859
C -1.174881 -0.789731 0.797747
C 2.951930 -0.047191 -1.098987
C -1.433493 1.816463 -1.161645
C 1.939098 0.801557 -0.319973
C -2.098264 -1.255447 -0.139922
C -1.271965 0.691657 -2.123255
C 5.089737 -1.254659 -0.769926
C 3.049972 -1.973337 0.441866
C -1.170675 2.719651 1.075148
C -1.034762 -1.502060 2.009152
C -2.058831 3.009027 -1.557993
C -2.878393 -2.397746 0.123475
C -1.799455 3.902148 0.677121
C -2.239896 4.047239 -0.641899
C -1.805308 -2.629254 2.277072
C 6.031225 -0.063299 -0.955492
C 3.676955 -2.393104 1.771761
C -2.734798 -3.078971 1.328286
H 0.251216 0.630980 1.602621
H 2.405773 -0.702636 -1.815432
H 3.598533 0.624873 -1.704650
H 1.699845 1.747763 -0.832444
H 2.266342 1.003696 0.715384
H -1.457311 0.977249 -3.177073
H -0.241779 0.258300 -2.083435
H 5.570761 -1.993509 -0.089122
H 4.931896 -1.773932 -1.739514
H 1.991241 -1.656874 0.612595
H 3.002226 -2.838846 -0.252482
H -0.833091 2.613992 2.105714
H -0.307270 -1.164347 2.748015
H -2.414583 3.121834 -2.580540
H -3.598145 -2.758448 -0.614843
H -1.946999 4.707540 1.393621
H -2.728807 4.968534 -0.954968
H -1.686876 -3.163003 3.217888
H 6.129441 0.503960 -0.019634
H 5.667559 0.635126 -1.716843
H 7.030532 -0.395520 -1.253754
H 3.799751 -1.527459 2.435956
H 4.670910 -2.833521 1.636724
H 3.049012 -3.128284 2.284623
H -3.339353 -3.961129 1.533245


%chk=000200162-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200162

0 1
S -2.774676 -0.781880 -1.594091
O 0.768261 -0.128533 -0.274910
N 3.819848 -0.858998 -0.256782
C -0.315480 0.391499 0.611308
C -0.969250 1.660237 0.060367
C -1.244361 -0.779892 0.927314
C 3.068556 0.097791 -1.106161
C -1.508019 1.718849 -1.257877
C 1.913212 0.801950 -0.384581
C -2.267615 -1.316944 0.091262
C -1.469734 0.491500 -2.128950
C 5.251628 -0.966181 -0.649872
C 3.150474 -2.189828 -0.148710
C -1.026976 2.811729 0.880364
C -1.047237 -1.387825 2.199481
C -2.087240 2.925416 -1.718487
C -3.057465 -2.405451 0.555726
C -1.613050 4.011404 0.417478
C -2.143111 4.069159 -0.890836
C -1.824658 -2.467578 2.657679
C 6.096465 0.239965 -0.194734
C 3.533229 -2.945809 1.137896
C -2.846837 -2.976362 1.823607
H 0.167762 0.675810 1.571104
H 2.671954 -0.378970 -2.037357
H 3.767157 0.891420 -1.430735
H 1.598353 1.703636 -0.953010
H 2.244546 1.110015 0.629373
H -1.749193 0.707769 -3.172744
H -0.495259 -0.017480 -2.086038
H 5.659289 -1.876355 -0.174583
H 5.364136 -1.112651 -1.755190
H 2.063112 -2.009159 -0.147335
H 3.377285 -2.825468 -1.042732
H -0.608761 2.768482 1.893970
H -0.250707 -0.990329 2.840599
H -2.502355 2.964617 -2.732870
H -3.840465 -2.809334 -0.096824
H -1.650693 4.891660 1.068446
H -2.594209 4.995347 -1.263759
H -1.638755 -2.903632 3.644539
H 6.029559 0.355346 0.901148
H 5.756449 1.185092 -0.657042
H 7.157448 0.097191 -0.473885
H 3.264340 -2.343580 2.023568
H 4.615348 -3.166777 1.191662
H 2.992056 -3.909199 1.189006
H -3.471461 -3.814171 2.152298


