%chk=000281391.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281391

0 1
S -5.172389 1.702221 0.381083
O -5.789519 2.532245 -0.632821
O -5.746295 1.624200 1.694512
O 4.901179 1.783574 1.092593
O 2.510583 4.014980 -1.674098
N 3.659367 0.671762 -0.514826
N -5.312616 0.134260 -0.397928
N 1.517328 2.308368 0.262012
N 0.599969 3.031175 0.685132
N -5.130829 -2.231711 -0.527608
N -3.965434 -0.957741 1.219573
C 4.476966 -0.494572 -0.711768
C 4.771257 -2.583637 -1.901044
C 6.428017 -1.854452 -0.277413
C -3.490840 2.030904 0.451400
C 5.675479 -0.695047 -0.021562
C 4.012314 -1.434737 -1.654889
C 2.887344 2.859027 0.406559
C 5.978476 -2.793254 -1.212547
C 3.914873 1.702986 0.385178
C -2.760874 1.711169 1.602701
C -2.855778 2.635146 -0.643079
C -0.770194 2.589930 0.564421
C 4.307330 -3.595377 -2.898451
C 7.709079 -2.067229 0.461004
C -1.392769 1.986546 1.667941
C -1.492045 2.915792 -0.598881
C 3.234574 3.863485 -0.726136
C -4.797211 -1.048701 0.114407
C 4.512784 4.597728 -0.505543
C -4.612752 -3.380949 -0.017923
C -3.768636 -3.364991 1.116017
C -3.473093 -2.130074 1.699532
C -4.975020 -4.653413 -0.702032
H 3.032610 3.394079 1.392527
H 6.029564 0.034975 0.711185
H 3.080533 -1.275315 -2.188658
H 6.561817 -3.688102 -1.410025
H 2.774292 0.689885 -1.041076
H -3.262267 1.237528 2.459082
H -3.433630 2.895955 -1.539188
H 3.331569 -3.350037 -3.336855
H 5.021232 -3.685176 -3.730704
H 4.215257 -4.591951 -2.442773
H 8.421063 -1.251989 0.263069
H 8.208578 -3.006353 0.191896
H 7.541959 -2.087874 1.548417
H -0.822681 1.738613 2.562087
H -0.990889 3.385302 -1.446688
H -5.921834 0.033880 -1.230704
H 4.352574 5.501424 0.104181
H 5.282244 3.999576 0.013576
H 4.948255 4.939375 -1.458866
H -3.366670 -4.286797 1.520220
H -2.822056 -2.050246 2.579747
H -5.612190 -4.483127 -1.587519
H -5.532832 -5.321665 -0.028357
H -4.080921 -5.195373 -1.043092


%chk=000281391-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281391

0 1
S -4.673103 1.084636 -1.049272
O -4.704276 1.375028 -2.648768
O -5.780923 1.714117 -0.053381
O 5.330077 1.840957 1.305168
O 3.045192 4.599204 -0.854586
N 3.944219 0.900226 -0.364157
N -4.720843 -0.766183 -1.040602
N 1.860118 2.365977 0.293125
N 0.833242 2.591626 1.050575
N -5.432487 -2.790338 -0.130073
N -4.596440 -0.990474 1.311734
C 4.722121 -0.178213 -0.875298
C 4.831404 -2.050626 -2.466452
C 6.735527 -1.569355 -0.964207
C -2.947319 1.493739 -0.405716
C 6.022017 -0.478798 -0.405050
C 4.131901 -0.964340 -1.902032
C 3.127609 2.844233 0.880738
C 6.135937 -2.342715 -1.985048
C 4.255647 1.793973 0.634874
C -2.780284 1.697034 0.972373
C -1.930567 1.647528 -1.365596
C -0.431050 2.195466 0.485418
C 4.210401 -2.891590 -3.568597
C 8.132346 -1.891009 -0.460045
C -1.494812 2.069155 1.415517
C -0.647906 2.001580 -0.907269
C 3.566408 4.198289 0.210646
C -4.933272 -1.533562 0.101285
C 4.641780 4.947134 0.969339
C -5.599516 -3.599087 0.959353
C -5.293239 -3.123125 2.264895
C -4.798901 -1.808548 2.385425
C -6.133443 -4.990100 0.714919
H 3.050215 3.012851 1.972666
H 6.463878 0.131155 0.386463
H 3.122273 -0.723125 -2.259858
H 6.688979 -3.186999 -2.415940
H 2.998926 1.040045 -0.754736
H -3.621843 1.563476 1.656204
H -2.152960 1.520806 -2.429878
H 3.177110 -2.574365 -3.790692
H 4.794090 -2.815441 -4.505328
H 4.183282 -3.961233 -3.288961
H 8.822486 -1.043298 -0.629161
H 8.553027 -2.776118 -0.967049
H 8.128531 -2.091661 0.627518
H -1.292493 2.258420 2.473851
H 0.180497 2.157011 -1.604548
H -5.062923 -1.137112 -1.936723
H 4.195214 5.415642 1.868343
H 5.423415 4.250665 1.323054
H 5.072841 5.735879 0.333817
H -5.439546 -3.753494 3.145376
H -4.547966 -1.384718 3.363694
H -6.259332 -5.159278 -0.365021
H -7.111322 -5.129328 1.212247
H -5.447739 -5.755419 1.122425


