%chk=000181985.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181985

0 1
S 2.904643 0.100575 0.855481
O 1.461372 1.105389 -1.116477
N 0.602554 -0.813699 -0.190079
C -0.548598 -0.839706 -1.137509
C 0.650443 -1.876599 0.847352
C -1.768543 -0.198099 -0.519664
C 1.524300 0.201896 -0.307127
C 1.478377 -3.073994 0.387725
C -2.862990 -0.980226 -0.128424
C -1.802905 1.193598 -0.343007
C -3.989500 -0.370221 0.433094
C -2.929078 1.796727 0.220364
C -4.024207 1.016198 0.608352
C 3.835400 1.619489 0.434460
C 5.280927 1.238344 0.218692
H -0.743393 -1.891985 -1.440743
H -0.263272 -0.290115 -2.071339
H 1.050661 -1.463808 1.803350
H -0.395486 -2.191930 1.073773
H 1.083753 -3.517982 -0.533216
H 2.521938 -2.794180 0.185795
H 1.495085 -3.856247 1.155325
H -2.844144 -2.059465 -0.261956
H -0.943056 1.797701 -0.645428
H -4.840792 -0.978051 0.734215
H -2.954492 2.876766 0.357271
H -4.901434 1.488712 1.045689
H 3.389541 2.088698 -0.472425
H 3.710932 2.337393 1.266551
H 5.731167 0.771584 1.104971
H 5.402735 0.533493 -0.616523
H 5.886863 2.124143 -0.020844


%chk=000181985-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181985

0 1
S 3.020391 0.211399 1.257777
O 1.784148 1.169869 -1.020415
N 0.703544 -0.629480 0.013063
C -0.351053 -0.665793 -1.037340
C 0.615903 -1.633346 1.098611
C -1.706341 -0.178806 -0.534141
C 1.710690 0.305555 -0.101968
C 1.310242 -2.966728 0.747418
C -2.838010 -1.029822 -0.555377
C -1.849564 1.145190 -0.043599
C -4.095164 -0.569803 -0.097052
C -3.101599 1.605522 0.416637
C -4.229173 0.749140 0.391476
C 4.137237 1.600398 0.609999
C 5.175959 1.093259 -0.398109
H -0.434554 -1.703131 -1.414586
H 0.010032 -0.027628 -1.862499
H 1.050666 -1.206349 2.019710
H -0.458378 -1.797597 1.302585
H 0.881227 -3.414704 -0.167343
H 2.391006 -2.812536 0.586971
H 1.181885 -3.690836 1.572685
H -2.737813 -2.054931 -0.934945
H -0.977095 1.809073 -0.029049
H -4.963603 -1.237851 -0.119309
H -3.201924 2.630653 0.790725
H -5.201128 1.108003 0.748277
H 3.458089 2.335240 0.147797
H 4.595613 2.030741 1.516099
H 5.821846 0.312667 0.040659
H 4.674412 0.676877 -1.288188
H 5.821310 1.930156 -0.728866


