%chk=000206255.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206255

0 1
S 0.250834 1.574070 -0.593339
O 0.501186 2.857288 0.038280
O 0.028525 1.532048 -2.020892
N -1.163857 0.934453 0.183207
N -1.052929 -1.367576 -0.624457
C -2.989825 -0.745132 0.673328
C -1.641561 -0.403245 0.009341
C 1.482746 0.459515 -0.150851
C 1.390875 -0.874246 -0.572060
C 0.196545 -1.318288 -1.384259
C -4.097831 -0.570436 -0.368606
C -2.982423 -2.159639 1.257116
C -2.039397 1.962578 0.801984
C 2.576110 0.887915 0.608632
C 2.406638 -1.778741 -0.233809
C 3.588192 -0.013750 0.944576
C 3.500245 -1.345524 0.520739
H -3.169197 -0.032211 1.523836
H 0.093955 -0.689330 -2.312298
H 0.341418 -2.362781 -1.762753
H -3.965393 -1.268658 -1.207446
H -4.109464 0.441154 -0.788950
H -5.084389 -0.766424 0.064827
H -2.171480 -2.290479 1.982344
H -2.826756 -2.915997 0.473080
H -3.929286 -2.387154 1.756075
H -1.434139 2.821048 1.160120
H -2.572361 1.554579 1.681639
H -2.788510 2.343165 0.087019
H 2.637783 1.932061 0.939331
H 2.339411 -2.818821 -0.550682
H 4.441321 0.317371 1.534191
H 4.290214 -2.051315 0.783539


%chk=000206255-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206255

0 1
S 0.167885 1.569640 -0.757625
O 0.449980 3.057300 -0.157892
O -0.196111 1.396174 -2.332674
N -1.206413 0.826433 0.341670
N -1.065159 -1.486043 -0.515520
C -3.089103 -0.780902 0.633279
C -1.660463 -0.500160 0.099668
C 1.581013 0.439643 -0.230938
C 1.437632 -0.931117 -0.515562
C 0.216926 -1.489520 -1.248945
C -4.106608 -0.390999 -0.475171
C -3.258751 -2.254832 1.055697
C -1.914098 1.849758 1.132881
C 2.670518 1.026067 0.423809
C 2.498603 -1.763076 -0.079622
C 3.715457 0.166509 0.838889
C 3.623743 -1.221628 0.586387
H -3.275339 -0.146151 1.518663
H 0.094279 -0.936155 -2.204714
H 0.427986 -2.542326 -1.504500
H -3.954810 -1.032639 -1.361075
H -3.995423 0.661125 -0.795538
H -5.140761 -0.532975 -0.111942
H -2.552940 -2.524701 1.861151
H -3.061057 -2.921696 0.201440
H -4.289479 -2.422428 1.420686
H -1.320970 2.782084 1.085307
H -1.967959 1.539086 2.191267
H -2.930027 2.062490 0.752499
H 2.693667 2.105152 0.606001
H 2.436626 -2.840457 -0.270258
H 4.586612 0.580604 1.356249
H 4.431747 -1.886761 0.909235


