%chk=000288725.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288725

0 1
S 3.438139 -1.752315 -0.462663
O 2.066495 -1.961371 0.492265
O -4.354871 -1.712966 0.089048
O -0.618321 1.025550 -0.043673
O 3.028636 -1.964932 -1.831809
O 4.465942 -2.605893 0.082448
N -2.274397 -0.640397 0.044510
C -1.417455 -1.862982 0.147321
C -0.626314 -1.824939 1.469061
C -0.477410 -1.936332 -1.071185
C 1.238639 -3.138621 0.366835
C 0.296799 -3.042167 1.579551
C 0.467104 -3.134736 -0.959830
C -3.716865 -0.695606 0.026143
C -1.781074 0.706288 -0.040535
C -4.161937 0.735234 -0.082259
C -3.010880 1.570266 -0.121795
C -5.432480 1.264484 -0.142176
C -3.125596 2.939402 -0.222006
C 3.726946 -0.102154 -0.111915
C -5.553842 2.671382 -0.244632
C -4.429610 3.487549 -0.283617
C 5.034400 0.338284 0.138082
C 2.663831 0.808056 -0.066996
C 5.282013 1.681131 0.409018
C 2.907417 2.155449 0.207209
C 4.216557 2.602218 0.442890
C 4.492132 4.039567 0.732827
H -2.113428 -2.746065 0.145615
H -0.006198 -0.901530 1.508653
H -1.313373 -1.782361 2.332660
H -1.060947 -1.996701 -2.008243
H 0.125492 -1.004774 -1.142186
H 1.903496 -4.028918 0.444288
H 0.902987 -2.959426 2.504555
H -0.288591 -3.976366 1.667033
H -0.093769 -4.083431 -1.057962
H 1.178607 -3.113208 -1.819442
H -6.317074 0.626892 -0.112567
H -2.246371 3.583386 -0.253949
H -6.550883 3.112261 -0.293672
H -4.543373 4.569833 -0.363483
H 5.865503 -0.375940 0.127671
H 1.628334 0.472643 -0.232548
H 6.298663 2.019586 0.598395
H 2.071165 2.852717 0.239558
H 4.965876 4.164958 1.718292
H 5.178077 4.472977 -0.010740
H 3.585306 4.659220 0.731958


%chk=000288725-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000288725

0 1
S 3.277975 -1.581347 -0.916396
O 2.029447 -1.878571 0.438841
O -4.413147 -1.794209 0.307684
O -0.666715 1.029072 -0.209720
O 2.517853 -1.490242 -2.348509
O 4.540206 -2.588279 -0.766454
N -2.320006 -0.676266 0.083757
C -1.456277 -1.872981 0.248599
C -0.604537 -1.760064 1.540629
C -0.596687 -2.109937 -1.019634
C 1.236026 -3.140554 0.434125
C 0.351476 -2.966779 1.690857
C 0.365410 -3.302634 -0.830802
C -3.749424 -0.743403 0.125698
C -1.867127 0.655204 -0.132210
C -4.233462 0.657305 -0.086691
C -3.104687 1.495908 -0.242716
C -5.539250 1.166566 -0.144172
C -3.241851 2.874172 -0.463106
C 3.731869 0.122667 -0.280469
C -5.689814 2.560484 -0.366377
C -4.558592 3.401125 -0.523774
C 5.069424 0.336690 0.089218
C 2.731792 1.105970 -0.213570
C 5.423628 1.626597 0.536801
C 3.117985 2.385780 0.245624
C 4.458298 2.666341 0.620563
C 4.860284 4.047122 1.105706
H -2.166701 -2.716838 0.362091
H -0.006958 -0.833433 1.505211
H -1.275752 -1.700679 2.417844
H -1.261949 -2.299270 -1.882487
H -0.005815 -1.207968 -1.249786
H 1.927339 -3.997574 0.553762
H 0.992354 -2.832522 2.580186
H -0.219252 -3.907610 1.828587
H -0.203010 -4.248469 -0.717008
H 0.999351 -3.406381 -1.728373
H -6.404143 0.507117 -0.022598
H -2.361789 3.513180 -0.585046
H -6.693420 2.995843 -0.418543
H -4.706258 4.472687 -0.695513
H 5.800284 -0.476102 0.027773
H 1.690533 0.899056 -0.479962
H 6.461626 1.826295 0.827299
H 2.357699 3.171257 0.316836
H 5.299630 4.001859 2.119473
H 5.622268 4.496169 0.441654
H 3.997364 4.732846 1.141101


