%chk=000233162.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233162

0 1
S 3.696072 -1.183110 -0.249601
O 4.838294 -2.007465 0.061467
O 3.187315 -1.093486 -1.592848
O -3.986121 -1.376480 0.995831
O -4.302563 1.507192 -1.635977
N 2.463879 -1.848474 0.783878
N -3.383982 0.826139 0.831434
N -4.715186 1.225226 0.604738
C 3.895921 0.423917 0.414437
C 4.865784 1.235038 -0.450323
C 5.033886 2.664854 0.086809
C 1.085303 -1.556341 0.735188
C 6.001898 3.470108 -0.775293
C 0.244090 -2.090621 1.742063
C 0.542439 -0.720044 -0.264504
C -1.637092 -0.892102 0.789947
C -1.105567 -1.761831 1.758198
C -0.810140 -0.395485 -0.229179
C -3.084946 -0.574869 0.836929
C -5.133722 1.410488 -0.755770
C -6.608320 1.594863 -0.925333
H 4.268290 0.395132 1.461460
H 2.928074 0.966072 0.493928
H 5.858552 0.737812 -0.486097
H 4.501748 1.276652 -1.500361
H 4.051016 3.175166 0.121189
H 5.398571 2.637042 1.132585
H 2.729811 -2.626102 1.407489
H 7.000001 3.016657 -0.800523
H 6.118262 4.490704 -0.391451
H 5.653761 3.551019 -1.812171
H 0.646591 -2.760710 2.497943
H 1.149668 -0.373746 -1.106498
H -1.764155 -2.179120 2.525283
H -1.229625 0.235270 -1.018370
H -2.708689 1.490173 0.427444
H -5.364369 0.777140 1.269566
H -7.150704 0.642004 -0.831963
H -7.039846 2.298952 -0.199799
H -6.828996 1.990264 -1.931645


%chk=000233162-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233162

0 1
S 3.376748 -0.458512 -0.144198
O 4.246162 -1.827624 -0.330460
O 2.488211 0.148222 -1.365375
O -4.165648 -1.884615 1.113006
O -5.534647 2.123537 -1.102298
N 2.208034 -0.632007 1.496265
N -4.141170 0.169298 0.088690
N -5.527917 0.075159 -0.060696
C 4.557542 0.928957 0.494715
C 5.586012 1.281599 -0.579236
C 6.544808 2.389893 -0.068853
C 0.817037 -0.712111 1.238219
C 7.591134 2.774099 -1.137434
C 0.066190 -1.881852 1.558409
C 0.138705 0.423452 0.707887
C -2.005003 -0.766188 0.864891
C -1.327334 -1.895493 1.395629
C -1.251522 0.389821 0.518119
C -3.484850 -0.877464 0.708572
C -6.191856 1.114087 -0.683645
C -7.693163 0.951518 -0.816087
H 4.993023 0.489716 1.406945
H 3.862235 1.745768 0.745281
H 6.171542 0.382387 -0.850313
H 5.070537 1.630807 -1.494048
H 5.957693 3.285607 0.216327
H 7.059602 2.041117 0.848513
H 2.579621 -1.515705 1.900978
H 8.211890 1.903174 -1.417828
H 8.266324 3.565618 -0.765626
H 7.101934 3.149043 -2.055308
H 0.583377 -2.768429 1.945457
H 0.710761 1.319832 0.454071
H -1.922744 -2.775950 1.656539
H -1.735687 1.286305 0.114489
H -3.755170 1.026859 -0.318771
H -5.916394 -0.795343 0.319015
H -7.970932 0.994533 -1.883253
H -8.063858 0.004864 -0.387773
H -8.196022 1.793919 -0.310712


