%chk=000225596.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225596

0 1
S 2.402396 -1.503866 0.636993
O 1.583351 -1.882143 -0.502296
O 3.196670 -2.510983 1.314753
N 1.389653 -0.872781 1.880703
C -0.958127 -1.108347 0.971368
C -2.246598 -0.334452 0.677519
C 0.143188 -0.169791 1.493828
C -3.340106 -1.262301 0.123844
C -4.595312 -0.487373 -0.171906
C 3.378079 -0.156733 0.189155
C -5.571032 -0.314709 0.822256
C -4.795752 0.075945 -1.441811
C 4.393247 0.292070 1.040771
C 3.164105 0.482651 -1.037682
C 4.969012 2.029520 -0.552549
C 5.185782 1.380735 0.675517
C 3.951992 1.571013 -1.409326
C -6.733627 0.409476 0.546075
C -5.960150 0.799107 -1.712743
C -6.931610 0.967565 -0.720863
C 5.824226 3.184135 -0.953358
H -1.155330 -1.915450 1.701101
H -0.602266 -1.624181 0.048721
H -2.613896 0.165940 1.594833
H -2.047324 0.475840 -0.051692
H -0.220808 0.389948 2.386809
H 0.386503 0.600274 0.727334
H -3.547863 -2.078351 0.845150
H -2.973421 -1.773641 -0.790456
H 1.255107 -1.473175 2.704857
H -5.422758 -0.745499 1.809989
H -4.043273 -0.051036 -2.217432
H 4.574285 -0.213325 1.995307
H 2.378301 0.121138 -1.712799
H 5.974978 1.723806 1.341724
H 3.782430 2.061989 -2.365607
H -7.487911 0.538633 1.320307
H -6.111294 1.231937 -2.700135
H -7.837678 1.529474 -0.934203
H 6.192352 3.756348 -0.090306
H 6.710256 2.835694 -1.508174
H 5.296922 3.893601 -1.606276


%chk=000225596-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225596

0 1
S 2.449871 -1.565304 0.487030
O 1.582590 -1.873226 -0.866583
O 3.340659 -2.721540 1.209343
N 1.387524 -0.904814 1.876960
C -1.034658 -1.181405 1.042394
C -2.311388 -0.392433 0.676594
C 0.125377 -0.242534 1.443323
C -3.492684 -1.321203 0.279400
C -4.745226 -0.538890 -0.088008
C 3.516667 -0.064696 0.097378
C -5.723392 -0.227346 0.891526
C -4.940814 -0.062056 -1.410589
C 4.496028 0.327542 1.025505
C 3.316164 0.576530 -1.133263
C 5.135987 2.131013 -0.533981
C 5.303338 1.435894 0.695886
C 4.138442 1.685569 -1.438681
C -6.863233 0.541110 0.562508
C -6.078322 0.706545 -1.745561
C -7.044208 1.012355 -0.758488
C 6.020879 3.317548 -0.869317
H -1.254998 -1.871533 1.884414
H -0.714396 -1.801740 0.183964
H -2.624687 0.245644 1.528250
H -2.096139 0.294514 -0.166656
H -0.175933 0.401915 2.294207
H 0.372959 0.439074 0.607011
H -3.705059 -2.005428 1.124433
H -3.171576 -1.952601 -0.572061
H 1.232790 -1.736454 2.480829
H -5.592307 -0.595229 1.917229
H -4.198660 -0.301882 -2.182827
H 4.626008 -0.216814 1.965733
H 2.556077 0.205107 -1.828454
H 6.075406 1.765338 1.401057
H 4.004113 2.205657 -2.393808
H -7.610487 0.767758 1.331820
H -6.214585 1.061729 -2.773574
H -7.928850 1.605381 -1.016732
H 5.956387 4.098216 -0.088906
H 7.082509 3.015007 -0.938390
H 5.738522 3.776381 -1.831618


