%chk=000268888.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268888

0 1
S -3.474352 2.089809 0.457350
O 3.116237 -3.039556 0.105532
O 0.959465 -3.020551 0.149198
O 4.746489 2.891495 -0.184270
O 5.715572 0.957218 -0.122271
N -0.368802 -0.808581 0.094710
N -1.496704 -0.012351 0.078375
N 2.054054 -2.447814 0.103051
N 4.726906 1.672283 -0.131531
C -2.691994 -0.549337 0.158842
C -3.027624 -2.017945 0.273872
C 0.866408 -0.198856 0.035325
C 2.061445 -0.996504 0.042191
C -3.788154 0.407405 0.126504
C 1.003234 1.229298 -0.032039
C 3.324557 -0.364288 -0.012856
C 3.414365 1.017424 -0.074876
C -2.994605 -2.695706 -1.091893
C 2.235158 1.821971 -0.085376
C -5.117005 0.218888 -0.150281
C -5.881881 1.436468 -0.085845
C -5.133555 2.531592 0.236126
H -4.028832 -2.149063 0.739223
H -2.332898 -2.526851 0.977020
H 0.090938 1.838383 -0.041792
H -0.434944 -1.857100 0.134205
H 4.240000 -0.984791 -0.006046
H -1.997962 -2.666302 -1.549872
H -3.279903 -3.753327 -1.013249
H -3.689048 -2.220900 -1.797500
H 2.345983 2.913801 -0.136959
H -5.572361 -0.730342 -0.400225
H -6.946871 1.449799 -0.279204
H -5.463915 3.551232 0.350160


%chk=000268888-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268888

0 1
S -3.583716 2.245310 -0.015209
O 3.055992 -3.146022 0.060721
O 0.780656 -3.014921 0.085541
O 4.909224 2.852150 -0.099532
O 5.842288 0.764998 -0.074856
N -0.393210 -0.700280 0.075749
N -1.500765 0.126947 0.075382
N 1.973591 -2.449914 0.061284
N 4.823256 1.560523 -0.071787
C -2.701513 -0.451658 0.145552
C -2.937554 -1.956384 0.215817
C 0.871770 -0.156594 0.039671
C 2.052019 -0.992894 0.032315
C -3.841415 0.450415 0.110708
C 1.059991 1.264638 0.006778
C 3.344871 -0.425137 -0.003527
C 3.475167 0.967169 -0.034345
C -2.911662 -2.628395 -1.186233
C 2.334415 1.821405 -0.029858
C -5.208484 0.152874 0.148337
C -6.059813 1.307814 0.082549
C -5.355021 2.500979 -0.006417
H -3.909780 -2.152497 0.697137
H -2.180869 -2.430934 0.871398
H 0.165156 1.889449 0.011931
H -0.421223 -1.741480 0.096323
H 4.225726 -1.072121 -0.007459
H -1.939370 -2.491427 -1.691991
H -3.088824 -3.713671 -1.089916
H -3.695325 -2.204921 -1.838358
H 2.484222 2.903829 -0.054834
H -5.597459 -0.865709 0.217550
H -7.150651 1.256351 0.101301
H -5.742287 3.517010 -0.066126


