%chk=000253866.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253866

0 1
S 1.595920 -1.748311 0.013011
O -4.196594 -2.304099 0.007265
O -4.637408 2.296973 -0.019237
N -2.486348 1.480809 -0.011382
N -1.136670 -1.840252 0.009320
N -4.421592 -0.009343 -0.005972
N -0.274206 0.290229 -0.001296
C 5.104889 0.358720 0.006387
C 4.100783 -0.805784 0.011675
C 6.550436 -0.155004 0.011877
C 2.674254 -0.276201 0.006176
C 7.556494 1.004792 0.006441
C -2.227679 -0.949403 0.002662
C -1.666248 0.358202 -0.003808
C 0.003163 -1.055307 0.006668
C -3.644681 -1.223086 0.002030
C -3.910689 1.322034 -0.012659
C 8.997480 0.500227 0.011589
C -1.896693 2.841246 -0.017963
C -5.906868 -0.123249 -0.007625
H 4.936325 0.999078 -0.881505
H 4.933375 1.009650 0.885988
H 4.285000 -1.454053 -0.870635
H 4.282077 -1.443487 0.902251
H 6.725814 -0.805863 -0.866526
H 6.722943 -0.795075 0.898734
H 2.455578 0.357190 0.889114
H 2.458540 0.346766 -0.884862
H 7.386024 1.656207 0.886096
H 7.388645 1.645681 -0.881409
H -1.222690 -2.843442 0.014814
H 9.213206 -0.118102 -0.867273
H 9.210948 -0.106464 0.899069
H 9.708684 1.334176 0.006988
H -2.699811 3.603724 -0.024664
H -1.264919 2.979452 -0.913332
H -1.269695 2.990219 0.879031
H -6.202820 -1.189619 -0.001806
H -6.328681 0.360010 -0.905842
H -6.331484 0.370560 0.883508


%chk=000253866-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253866

0 1
S 1.533243 -2.034314 0.013033
O -4.353213 -2.290591 0.004530
O -4.512438 2.433315 -0.016472
N -2.390400 1.427139 -0.008872
N -1.260620 -1.941532 0.007688
N -4.408052 0.091185 -0.006102
N -0.283546 0.118821 0.000114
C 5.056725 0.305484 0.003116
C 4.113995 -0.923011 0.012126
C 6.551241 -0.089600 0.013406
C 2.640306 -0.487445 0.003088
C 7.499360 1.132004 0.002905
C -2.305210 -1.002975 0.001997
C -1.669053 0.244816 -0.002562
C -0.072112 -1.227209 0.006459
C -3.728001 -1.184414 0.000548
C -3.809421 1.381911 -0.010813
C 8.990970 0.733322 0.013693
C -1.703487 2.732062 -0.013316
C -5.889156 0.077859 -0.008325
H 4.847528 0.925021 -0.893334
H 4.840238 0.943729 0.884584
H 4.328058 -1.555646 -0.871890
H 4.321977 -1.538118 0.909840
H 6.770092 -0.729063 -0.867043
H 6.763240 -0.708584 0.910006
H 2.371220 0.104106 0.892276
H 2.377484 0.088150 -0.898382
H 7.278897 1.770992 0.882229
H 7.286165 1.749937 -0.893109
H -1.383525 -2.953957 0.011789
H 9.243172 0.117902 -0.870738
H 9.236338 0.140319 0.915182
H 9.647724 1.622547 0.005056
H -2.477626 3.513065 -0.018578
H -1.065674 2.822336 -0.908627
H -1.069684 2.830600 0.883987
H -6.205712 -0.975528 -0.004061
H -6.271744 0.593550 -0.904240
H -6.274499 0.601616 0.881709


