%chk=000116117.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116117

0 1
O 0.783926 -1.013646 0.157458
O -1.768148 -0.648940 -2.345549
O 0.631012 -1.595715 -2.017882
N 3.210805 -1.061716 0.464537
C 3.440137 -0.311180 1.742646
C 3.821987 -0.453082 -0.762338
C 2.035580 -1.860827 0.358470
C 2.183888 0.386703 2.275754
C 4.004119 -1.289472 2.784842
C 3.865054 -1.465614 -1.909873
C 3.125042 0.839504 -1.206712
C -1.156116 -0.236906 -1.112016
C 0.181692 -1.024436 -1.041441
C -2.138474 -0.608670 -0.015161
C -0.911734 1.263912 -1.159566
C -3.449873 -0.968481 -0.356523
C -0.014180 1.882038 -0.280937
C -1.754023 -0.566631 1.332126
C -1.629964 2.037900 -2.082108
C -4.369978 -1.285399 0.646520
C 0.170203 3.266070 -0.329418
C -2.678201 -0.882617 2.330855
C -1.441756 3.421409 -2.129499
C -3.986722 -1.241462 1.990417
C -0.541745 4.037439 -1.253749
H 4.220330 0.471382 1.537121
H 4.881318 -0.206020 -0.469124
H 2.065748 -2.573171 -0.491279
H 1.756236 -2.346477 1.315397
H 1.635562 0.900854 1.465899
H 2.434151 1.127085 3.040942
H 1.475783 -0.321002 2.722469
H 4.296049 -0.761330 3.698447
H 3.278697 -2.058951 3.068542
H 4.889370 -1.810245 2.399444
H 4.325031 -2.411215 -1.603213
H 4.445709 -1.073611 -2.751906
H 2.858025 -1.692991 -2.300093
H 3.667256 1.312905 -2.032738
H 2.105923 0.650492 -1.566136
H 3.054181 1.571891 -0.397034
H -3.743791 -1.004141 -1.409149
H 0.549335 1.279958 0.447431
H -0.730191 -0.297127 1.600283
H -2.336540 1.548706 -2.757731
H -1.078238 -0.895678 -3.021009
H -5.386860 -1.566145 0.378062
H 0.867646 3.744476 0.355414
H -2.378150 -0.848780 3.376244
H -2.000051 4.019743 -2.847658
H -4.704980 -1.486471 2.770448
H -0.397480 5.115680 -1.290225


%chk=000116117-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116117

0 1
O 0.630153 -0.767994 0.163507
O -1.875490 -0.425755 -2.466745
O 0.527543 -1.359472 -2.084788
N 3.218937 -1.107747 0.465389
C 3.631154 -0.500757 1.776056
C 4.009685 -0.711968 -0.748687
C 2.028571 -1.780723 0.369926
C 2.609815 0.526099 2.320775
C 3.940109 -1.601259 2.819312
C 3.920813 -1.763019 -1.874622
C 3.617462 0.696455 -1.263559
C -1.318571 -0.024756 -1.173432
C 0.057670 -0.781969 -1.051886
C -2.283924 -0.506466 -0.065940
C -1.106119 1.509386 -1.163974
C -3.137870 -1.605274 -0.330027
C -0.150564 2.156013 -0.340870
C -2.314966 0.097925 1.214342
C -1.936203 2.296218 -2.001760
C -4.003635 -2.096705 0.672283
C -0.027009 3.564611 -0.358433
C -3.181747 -0.393135 2.215821
C -1.815189 3.702413 -2.013839
C -4.028060 -1.494700 1.951187
C -0.859409 4.344511 -1.192015
H 4.575464 0.035826 1.562733
H 5.063555 -0.675207 -0.404028
H 1.920507 -2.424022 -0.510116
H 1.676402 -2.222199 1.309643
H 2.440419 1.341444 1.596665
H 2.987697 0.967231 3.261377
H 1.635612 0.049860 2.527140
H 4.350908 -1.148650 3.739934
H 3.027639 -2.157289 3.104197
H 4.676537 -2.322894 2.424288
H 4.188312 -2.770002 -1.505420
H 4.634917 -1.492339 -2.672624
H 2.912140 -1.795036 -2.322862
H 4.279488 0.992628 -2.097796
H 2.577587 0.701980 -1.632609
H 3.710139 1.459194 -0.469468
H -3.128981 -2.044652 -1.331255
H 0.497477 1.558121 0.307298
H -1.673498 0.957655 1.429051
H -2.658733 1.786578 -2.645286
H -1.108716 -0.815651 -2.981253
H -4.662771 -2.944533 0.452241
H 0.719396 4.051084 0.280681
H -3.200504 0.088290 3.200494
H -2.465325 4.297124 -2.665883
H -4.702340 -1.872769 2.728316
H -0.763881 5.436294 -1.203779


