%chk=000284479.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284479

0 1
S -1.213202 -0.059699 -0.182884
O -1.215530 0.008798 1.280910
O -1.565882 1.172610 -0.891805
N 2.612928 -0.983266 -0.557396
N 1.601861 1.187897 -0.055662
C 1.479980 -0.154625 -0.435718
C 4.014333 -0.491914 -0.602064
C 2.515614 -2.421735 -0.170754
C 2.500540 1.671318 1.022237
C 0.969020 2.271883 -0.863596
C 4.775883 -0.754831 0.708905
C 3.233893 -2.698720 1.161025
C 3.563484 2.654056 0.500354
C 2.030605 3.235363 -1.416277
C 4.693655 -2.232189 1.110749
C 2.915147 3.793991 -0.294852
C 0.243195 -0.681184 -0.738626
C -2.390423 -1.320243 -0.654012
C -3.780044 -0.964173 -0.232592
C -4.806649 -0.882540 -1.186672
C -4.074702 -0.742384 1.123658
C -6.113481 -0.589256 -0.785402
C -5.381552 -0.450242 1.515579
C -6.405855 -0.377398 0.564486
H 4.040776 0.592639 -0.863840
H 4.515203 -1.027652 -1.443034
H 2.969994 -3.022302 -0.990373
H 1.448454 -2.728259 -0.094252
H 2.978464 0.812863 1.550018
H 1.850080 2.181353 1.775487
H 0.238272 2.811504 -0.213979
H 0.363090 1.837792 -1.695815
H 4.347721 -0.123959 1.520211
H 5.830411 -0.443113 0.598406
H 3.183070 -3.779226 1.391799
H 2.700025 -2.187331 1.987140
H 4.287092 2.113967 -0.147435
H 4.144386 3.058584 1.349184
H 1.521701 4.061485 -1.950021
H 2.653608 2.721959 -2.172497
H 5.265268 -2.852742 0.393756
H 5.174188 -2.384186 2.095876
H 2.307835 4.428140 0.380965
H 3.694303 4.455311 -0.716799
H 0.203413 -1.576314 -1.348567
H -2.348908 -1.496537 -1.746716
H -2.118890 -2.294445 -0.198167
H -4.588167 -1.034465 -2.240616
H -3.270551 -0.767455 1.868578
H -6.904083 -0.522542 -1.530213
H -5.601952 -0.272749 2.566974
H -7.422319 -0.149331 0.874336


%chk=000284479-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000284479

0 1
S -1.251269 0.066101 -0.660155
O -1.235474 0.970076 0.718466
O -1.839996 0.747603 -2.037894
N 2.669700 -0.974766 -0.123997
N 1.783172 1.223518 -0.240990
C 1.576446 -0.140560 -0.431549
C 4.042383 -0.624244 -0.571114
C 2.476452 -2.412160 0.159984
C 2.383174 1.736956 1.019207
C 1.037731 2.250925 -1.013161
C 5.097216 -1.071486 0.462412
C 3.505812 -2.903777 1.203974
C 3.312918 2.940857 0.754248
C 1.964079 3.443526 -1.336522
C 4.952465 -2.581642 0.764592
C 2.571250 4.038935 -0.045405
C 0.395647 -0.699071 -0.910941
C -2.427381 -1.553332 -0.304953
C -3.813017 -1.093480 -0.048750
C -4.722816 -0.907914 -1.125618
C -4.234154 -0.787606 1.274371
C -6.034548 -0.451979 -0.879719
C -5.546566 -0.332151 1.517960
C -6.451472 -0.167648 0.442496
H 4.084028 0.461207 -0.749498
H 4.249340 -1.134207 -1.541083
H 2.584042 -3.013370 -0.773325
H 1.447458 -2.553713 0.532238
H 2.920983 0.912695 1.515438
H 1.551574 2.052262 1.686828
H 0.162815 2.596950 -0.425359
H 0.650980 1.788685 -1.937445
H 4.965374 -0.491078 1.396881
H 6.108182 -0.847521 0.071608
H 3.376543 -3.993194 1.351177
H 3.293547 -2.410159 2.172452
H 4.203332 2.607745 0.183673
H 3.671957 3.339792 1.722543
H 1.376104 4.208273 -1.878421
H 2.776538 3.108635 -2.012294
H 5.197641 -3.162142 -0.149248
H 5.671843 -2.892476 1.545003
H 1.756045 4.456851 0.580126
H 3.257558 4.873191 -0.284001
H 0.326773 -1.668580 -1.406963
H -2.288153 -2.126469 -1.234353
H -1.911441 -2.001036 0.556807
H -4.391139 -1.106218 -2.150803
H -3.525948 -0.896381 2.103447
H -6.728692 -0.309948 -1.715296
H -5.862613 -0.098385 2.540585
H -7.471124 0.186418 0.632338


