%chk=000188532.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188532

0 1
O -2.947507 -1.611504 -0.427781
O 1.080209 -4.653978 0.065219
N -1.098326 0.816809 -0.827288
N -0.993313 -1.653400 0.793377
N 3.470890 -0.035454 0.152092
C -2.054824 0.554148 0.300673
C -3.467033 1.184604 0.226809
C 1.280409 0.465735 -0.297849
C -0.292583 -2.644682 -0.072869
C 1.512057 -0.927663 -0.606310
C 0.552971 -1.922607 -1.152281
C 0.174748 1.354606 -0.363005
C 2.534947 1.002068 0.169761
C -2.095971 -0.988303 0.168501
C 2.845332 -1.204464 -0.323218
C 0.563665 -3.557426 0.830596
C -4.360129 0.567568 1.309848
C -3.393875 2.705112 0.402513
C -1.635175 1.526812 -2.016377
C 0.335934 2.681220 0.016227
C 2.694082 2.353561 0.553594
C 1.588145 3.172710 0.465303
C 4.879903 0.075205 0.540284
H -1.604371 0.852459 1.283072
H -3.916509 0.945899 -0.770552
H -1.072217 -3.268153 -0.591726
H -0.135789 -1.414117 -1.865981
H 1.094187 -2.693901 -1.742183
H -0.321485 -1.032603 1.264740
H 3.375528 -2.134651 -0.431254
H -0.016969 -3.942416 1.687825
H 1.480066 -3.056429 1.194992
H -3.946320 0.692085 2.314889
H -5.355499 1.025502 1.307007
H -4.506633 -0.508998 1.136379
H -2.938324 2.985437 1.358397
H -4.395517 3.150051 0.379231
H -2.808910 3.177574 -0.398413
H -2.462492 0.928599 -2.437694
H -0.841725 1.581648 -2.781473
H -2.001869 2.548905 -1.818544
H -0.505265 3.368812 -0.025925
H 3.654120 2.720367 0.898332
H 1.661514 4.223240 0.746036
H 4.972983 0.413648 1.588772
H 5.392676 -0.898145 0.450625
H 5.410142 0.799515 -0.105866
H 0.352223 -5.235405 -0.233408


%chk=000188532-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188532

0 1
O -2.896415 -1.489932 -0.634870
O 1.265127 -4.463840 0.176301
N -1.157823 1.155151 -0.564670
N -1.017963 -1.502661 0.754030
N 3.524412 -0.028072 -0.108151
C -2.180952 0.652398 0.395365
C -3.595182 1.247006 0.197320
C 1.289532 0.522898 -0.267158
C -0.315845 -2.546775 -0.027460
C 1.473930 -0.843433 -0.765631
C 0.466363 -1.878853 -1.213184
C 0.177530 1.425017 -0.098164
C 2.596666 0.986500 0.155119
C -2.134131 -0.885208 0.184504
C 2.839024 -1.119753 -0.651254
C 0.585731 -3.378977 0.902969
C -4.568437 0.656531 1.244779
C -3.563672 2.789058 0.268494
C -1.410358 1.030523 -2.011444
C 0.414992 2.664995 0.542052
C 2.824294 2.236818 0.770999
C 1.706217 3.065628 0.981064
C 4.959564 0.046815 0.166557
H -1.822774 0.910189 1.411684
H -3.951274 0.935248 -0.804419
H -1.101432 -3.194713 -0.461563
H -0.285114 -1.450142 -1.899165
H 0.987970 -2.685057 -1.761664
H -0.404275 -0.892030 1.304325
H 3.361376 -2.041709 -0.904408
H -0.016705 -3.769879 1.748432
H 1.410271 -2.763917 1.303674
H -4.241953 0.904319 2.274223
H -5.583369 1.072260 1.106900
H -4.635953 -0.440962 1.151124
H -3.275159 3.132482 1.281649
H -4.561525 3.208919 0.044047
H -2.839128 3.209655 -0.451473
H -1.916061 0.077742 -2.268856
H -0.449748 1.074456 -2.551739
H -2.046026 1.860746 -2.384436
H -0.436470 3.344132 0.658809
H 3.826780 2.549505 1.081480
H 1.833634 4.043062 1.459231
H 5.149451 0.215717 1.242945
H 5.435620 -0.902669 -0.124908
H 5.432449 0.865405 -0.407034
H 0.584909 -5.114993 -0.131329


