%chk=000272034.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272034

0 1
S 1.638443 0.187500 -2.647447
O -2.005094 -0.861319 -1.209230
O -0.007303 -2.617471 0.809414
O -2.746161 -1.098506 2.144173
O -5.234260 -2.133677 -0.332412
N -0.243398 0.610616 -0.659702
N 0.901831 2.487007 -1.348515
C -0.682266 -0.792166 -0.657527
C -0.732465 -1.391025 0.778947
C -2.214138 -1.782248 1.006632
C -2.991640 -1.211055 -0.201376
C -3.925654 -2.210311 -0.897750
C -0.765699 1.698821 0.080696
C 0.743702 1.172995 -1.523692
C -0.029722 2.858549 -0.354870
C -1.753072 1.800489 1.076734
C -0.292000 4.122677 0.207687
C -1.988066 3.056270 1.610937
C -1.269386 4.203832 1.183515
C 3.300865 0.200911 -1.903484
C 3.283356 -0.617379 -0.657588
C 3.533479 -1.998388 -0.708729
C 3.011429 -0.009099 0.579700
C 3.521360 -2.757039 0.464663
C 2.998750 -0.773093 1.748550
C 3.255866 -2.147325 1.695240
H -0.053821 -1.401727 -1.360107
H -0.347792 -0.700769 1.559743
H -2.317500 -2.880947 1.140407
H -3.534611 -0.274120 0.072890
H -3.556350 -3.249116 -0.861491
H -4.084832 -1.917247 -1.958623
H 0.968320 -2.444172 0.794601
H -2.405744 -1.494188 2.975994
H -2.314738 0.928119 1.414587
H -5.212919 -2.354689 0.622810
H 0.266194 4.992874 -0.133950
H -2.749112 3.178425 2.382453
H -1.504435 5.164702 1.639433
H 3.627572 1.247872 -1.720614
H 3.991530 -0.202600 -2.673430
H 3.741718 -2.481537 -1.662554
H 2.813933 1.063350 0.628901
H 3.727578 -3.826334 0.420352
H 2.800108 -0.293167 2.706563
H 3.262245 -2.737996 2.609766


%chk=000272034-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272034

0 1
S 1.567363 -0.023376 -2.716516
O -2.380778 -0.633198 -1.198237
O 0.142137 -2.249546 0.896364
O -2.844146 -2.518564 1.908413
O -5.312793 -2.513578 0.231406
N -0.378495 0.669054 -0.769789
N 1.093179 2.347668 -1.323914
C -0.962991 -0.664746 -0.738992
C -0.970874 -1.341672 0.669171
C -2.257537 -2.176005 0.613163
C -3.234544 -1.274144 -0.159408
C -4.395315 -2.035239 -0.809368
C -0.760311 1.795080 -0.006999
C 0.727302 1.081992 -1.557903
C 0.182360 2.822368 -0.352440
C -1.811255 2.027116 0.905844
C 0.098378 4.101524 0.242044
C -1.878113 3.308741 1.491769
C -0.937933 4.330565 1.169086
C 3.329937 0.083943 -1.919117
C 3.387052 -0.614477 -0.587500
C 3.690258 -1.999139 -0.497326
C 3.104975 0.104316 0.606036
C 3.703776 -2.654795 0.753103
C 3.112277 -0.551890 1.859050
C 3.409655 -1.934944 1.936769
H -0.378863 -1.286845 -1.441155
H -1.041596 -0.580544 1.471705
H -2.035355 -3.094304 0.028351
H -3.650607 -0.506697 0.526356
H -3.999384 -2.871401 -1.424233
H -4.986219 -1.367471 -1.456459
H 0.983146 -1.753678 1.079882
H -2.210315 -3.099368 2.400812
H -2.562896 1.270785 1.147673
H -4.776180 -2.847770 1.001159
H 0.814910 4.882741 -0.028417
H -2.680681 3.526004 2.204931
H -1.033524 5.312939 1.643681
H 3.534511 1.163105 -1.854493
H 3.973381 -0.380096 -2.684045
H 3.906063 -2.565021 -1.411540
H 2.885681 1.176552 0.547693
H 3.937551 -3.723429 0.806911
H 2.902330 0.016628 2.771768
H 3.420588 -2.442883 2.907011


