%chk=000179706.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179706

0 1
S 1.979055 0.926800 -0.359653
O 3.322676 -1.334123 -0.133887
N 1.095569 -1.594880 -0.648271
C -0.257846 -1.009947 -0.795691
C -0.931496 -0.749566 0.565426
C -2.313720 -0.195724 0.359184
C 3.723130 1.527563 -0.138283
C 2.226560 -0.862541 -0.348911
C 1.169797 -3.074591 -0.549036
C -2.493389 1.178371 0.135195
C -3.429213 -1.046294 0.380743
C 4.427554 1.457123 -1.475789
C 3.577592 2.932519 0.409796
C -3.776733 1.693557 -0.061930
C -4.711063 -0.524967 0.183644
C -4.887970 0.844125 -0.038093
H -0.881779 -1.709638 -1.398839
H -0.203779 -0.067381 -1.390822
H -0.961913 -1.681812 1.163757
H -0.318901 -0.045032 1.169017
H 4.219273 0.849271 0.600811
H 0.822718 -3.532138 -1.489949
H 0.558239 -3.453886 0.284693
H 2.216388 -3.398269 -0.380786
H -1.631108 1.843463 0.116567
H -3.299953 -2.112364 0.553156
H 5.447463 1.859224 -1.407830
H 4.519684 0.416695 -1.825135
H 3.909800 2.021631 -2.261386
H 4.565045 3.379808 0.594016
H 3.035410 2.953733 1.365306
H 3.051958 3.605834 -0.280803
H -3.911734 2.760289 -0.234020
H -5.574225 -1.188301 0.203540
H -5.886391 1.247846 -0.190738


%chk=000179706-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179706

0 1
S 1.922515 1.013781 -0.367632
O 3.389549 -1.319635 -0.172028
N 1.096621 -1.615719 -0.540147
C -0.256744 -1.051750 -0.709619
C -1.003425 -0.825953 0.639974
C -2.388068 -0.241548 0.410434
C 3.751512 1.575815 -0.210194
C 2.231807 -0.849951 -0.349442
C 1.217322 -3.086640 -0.487395
C -2.554563 1.155236 0.217689
C -3.532386 -1.076674 0.335125
C 4.448040 1.512775 -1.578452
C 3.744309 2.980637 0.414866
C -3.830938 1.702725 -0.040451
C -4.811521 -0.533252 0.076651
C -4.964694 0.859600 -0.112965
H -0.839786 -1.749564 -1.339632
H -0.192384 -0.095795 -1.259567
H -1.075926 -1.791091 1.176198
H -0.390433 -0.144205 1.257520
H 4.195637 0.831179 0.472340
H 0.912952 -3.532808 -1.452806
H 0.579786 -3.502543 0.315429
H 2.267108 -3.345819 -0.284203
H -1.678966 1.814023 0.280111
H -3.421511 -2.157793 0.489405
H 5.505945 1.824373 -1.473227
H 4.433812 0.484756 -1.977069
H 3.960011 2.186330 -2.305857
H 4.786867 3.327147 0.545923
H 3.251575 2.983149 1.402589
H 3.227362 3.710301 -0.235309
H -3.943064 2.783910 -0.180733
H -5.685952 -1.192264 0.027750
H -5.955670 1.283666 -0.310277


