%chk=000262387.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262387

0 1
S -0.229471 0.758186 1.905543
S 3.310105 -1.755514 0.603895
O 0.520883 1.929633 2.268369
O -0.522180 -0.278990 2.855200
O -1.194282 -5.895408 -0.734821
O 5.393968 3.724327 -1.596692
O 0.932194 -6.267997 -0.587463
O 6.514227 1.886679 -1.373364
O -6.740998 1.071374 0.041449
N 0.785654 -0.021638 0.652314
N -0.043352 -5.537556 -0.542041
N 5.493851 2.548768 -1.283244
N -5.139530 2.368842 -0.997844
C 0.595445 -1.409291 0.360104
C 1.985616 0.617941 0.208503
C 1.683414 -2.305034 0.272178
C 3.196750 -0.093937 0.070340
C -1.642131 1.194258 1.052968
C -0.709060 -1.889547 0.117968
C 1.950717 1.985285 -0.141473
C 1.493107 -3.648011 -0.027959
C 4.343521 0.516991 -0.422147
C 0.183037 -4.112566 -0.235702
C 4.287556 1.878913 -0.762762
C -0.913541 -3.237321 -0.163401
C 3.098686 2.613733 -0.612006
C -2.879591 0.635600 1.417180
C -1.594937 2.147552 0.025717
C -4.045694 1.000096 0.758692
C -2.747698 2.528077 -0.647364
C -3.991463 1.951194 -0.283113
C -6.479669 1.903629 -0.794889
C -7.474637 2.547678 -1.710009
H -1.568438 -1.219823 0.136312
H 1.035348 2.572682 -0.013859
H 2.337054 -4.348599 -0.100665
H 5.285355 -0.036554 -0.543343
H -1.925787 -3.623918 -0.338148
H 3.086111 3.679672 -0.872264
H -2.928175 -0.099966 2.233366
H -0.632705 2.604304 -0.252233
H -5.006053 0.554383 1.052224
H -2.689409 3.267431 -1.443490
H -4.983668 3.073957 -1.725394
H -7.541951 3.636384 -1.570179
H -8.484790 2.143768 -1.509764
H -7.267789 2.354832 -2.772590


%chk=000262387-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262387

0 1
S -0.420466 0.262096 0.194348
S 3.169589 -1.491935 1.277760
O 0.605059 1.407913 0.845647
O -0.730954 -1.123639 1.070888
O -0.337138 -6.735100 0.341770
O 5.294875 4.165963 -0.757511
O 1.150300 -6.297804 2.019844
O 5.946760 2.980204 1.083318
O -7.359749 1.454989 -0.235108
N 1.515172 -0.911470 -1.451840
N 0.519831 -5.976064 0.939458
N 5.231661 3.135349 0.018983
N -5.759859 3.173908 -0.252467
C 1.336313 -2.121119 -0.802452
C 2.448402 0.016032 -1.021040
C 1.987035 -2.545254 0.412724
C 3.266962 -0.077204 0.162402
C -2.086647 1.140295 0.060574
C 0.402091 -3.028052 -1.406989
C 2.595464 1.185945 -1.839858
C 1.718672 -3.803736 0.983695
C 4.175413 0.942901 0.503994
C 0.799404 -4.648531 0.340065
C 4.275345 2.061005 -0.340206
C 0.130270 -4.278783 -0.856280
C 3.494472 2.200364 -1.518158
C -3.262428 0.371211 0.074900
C -2.091330 2.541820 -0.056407
C -4.507195 1.025919 -0.025713
C -3.334741 3.191699 -0.154680
C -4.546828 2.443922 -0.147157
C -7.074217 2.685397 -0.287896
C -8.149718 3.762467 -0.391501
H -0.086539 -2.686051 -2.323470
H 1.962902 1.240243 -2.730151
H 2.194429 -4.139997 1.909698
H 4.795468 0.895777 1.404143
H -0.579032 -4.974243 -1.310526
H 3.612821 3.093341 -2.135889
H -3.211989 -0.715208 0.197927
H -1.152956 3.104152 -0.032921
H -5.442405 0.464086 -0.006595
H -3.364300 4.285768 -0.231175
H -5.657529 4.189889 -0.305402
H -8.796614 3.709588 0.501396
H -8.786549 3.547601 -1.266297
H -7.753927 4.788845 -0.481746


