%chk=000264720.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000264720

0 1
S 0.319993 -1.528554 -0.718065
O 4.751920 -2.641881 0.909455
O 0.575751 -2.469597 0.365597
O 0.693482 -1.948766 -2.066478
O -5.893694 0.186081 1.481024
N 3.559312 -0.420304 -0.468323
N 1.135785 -0.101361 -0.347782
N -5.372945 0.158609 -0.768796
C 2.580063 1.715001 0.325329
C 1.762621 2.763990 -0.481637
C 2.120249 1.897202 1.787578
C 1.603940 3.953346 0.494327
C 1.716995 3.378860 1.919735
C 2.362965 0.279161 -0.165091
C 2.445345 3.148715 -1.789231
C 4.750919 -0.248452 0.416074
C 3.563948 -1.794018 -1.046775
C 4.765185 -1.334106 1.508874
C 3.603201 -2.860682 0.055453
C -1.328070 -1.041627 -0.708530
C -2.028963 -0.938006 0.498838
C -1.973643 -0.749877 -1.916511
C -3.364741 -0.542929 0.512550
C -3.308149 -0.355678 -1.927709
C -4.009711 -0.248837 -0.702957
C -6.249696 0.350927 0.335506
C -7.633095 0.773241 -0.068227
H 3.662756 1.988630 0.247665
H 0.750424 2.344725 -0.706146
H 1.253030 1.245111 2.007251
H 2.910594 1.620822 2.501101
H 0.638069 4.459447 0.338383
H 2.382068 4.715717 0.320894
H 0.760142 3.472925 2.460868
H 2.461699 3.939863 2.508527
H 1.854087 3.887347 -2.341957
H 2.566037 2.273703 -2.441135
H 3.440542 3.577590 -1.631381
H 4.781365 0.769449 0.859601
H 5.659237 -0.344401 -0.223863
H 2.718537 -1.950768 -1.759758
H 4.480200 -1.873224 -1.679977
H 3.907422 -1.241272 2.197878
H 5.711241 -1.342360 2.078389
H 3.796352 -3.872107 -0.342553
H 2.682134 -2.876000 0.675422
H -1.529952 -1.177326 1.445431
H -1.426386 -0.840870 -2.863751
H -3.905572 -0.464386 1.462629
H -3.796391 -0.135827 -2.873003
H -5.741287 0.323146 -1.709509
H -8.138414 0.025509 -0.694848
H -8.259488 0.906095 0.831951
H -7.645314 1.731803 -0.604438


%chk=000264720-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000264720

0 1
S 0.374481 -1.507743 -0.843220
O 4.999569 -2.775312 0.786476
O 0.647215 -2.468362 0.460008
O 0.647692 -2.119079 -2.343037
O -6.076414 0.063247 1.534204
N 3.448183 -0.506897 -0.153503
N 1.119147 0.189858 -0.604764
N -5.489333 0.101647 -0.740605
C 2.609175 1.799746 0.331152
C 1.807575 2.893453 -0.440677
C 2.156733 2.018521 1.807126
C 1.971716 4.125297 0.488096
C 1.959977 3.564722 1.946166
C 2.380946 0.364369 -0.172432
C 2.276795 3.119687 -1.887761
C 4.645090 -0.312307 0.708003
C 3.578118 -1.754142 -0.962611
C 4.843832 -1.564404 1.596078
C 3.795959 -2.975681 -0.052579
C -1.422518 -0.983186 -0.786286
C -2.073490 -0.944670 0.455646
C -2.068462 -0.686228 -1.996735
C -3.435597 -0.583563 0.503937
C -3.427935 -0.327899 -1.948330
C -4.117789 -0.267235 -0.704265
C -6.390423 0.246406 0.324121
C -7.798516 0.643977 -0.118319
H 3.684231 2.048641 0.219949
H 0.748160 2.575202 -0.452858
H 1.199064 1.487969 1.957348
H 2.874888 1.614970 2.545039
H 1.179232 4.875420 0.315567
H 2.939222 4.621511 0.272964
H 1.006481 3.785375 2.457976
H 2.762478 4.020995 2.553080
H 1.704716 3.937677 -2.363363
H 2.130389 2.210639 -2.498480
H 3.348938 3.396846 -1.921979
H 4.526957 0.571896 1.351093
H 5.537841 -0.175081 0.065365
H 2.714227 -1.900027 -1.631311
H 4.476840 -1.618603 -1.599356
H 3.976500 -1.669256 2.283341
H 5.773568 -1.473280 2.182648
H 4.004584 -3.874672 -0.653717
H 2.900211 -3.140045 0.576452
H -1.533020 -1.217693 1.367539
H -1.526786 -0.760188 -2.944496
H -3.975890 -0.543905 1.450685
H -3.957363 -0.095519 -2.880891
H -5.868368 0.283102 -1.673523
H -8.252748 -0.138405 -0.754405
H -8.422342 0.775201 0.776978
H -7.791636 1.590809 -0.689635


