%chk=000258325.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258325

0 1
O -2.046984 -0.448578 -0.098390
N 1.570867 -0.106873 -0.391365
N 4.433100 -0.490967 -0.168726
C 2.467171 0.045598 -1.583492
C 2.146224 -1.132168 0.539785
C 3.859295 0.516124 -1.114935
C 3.535910 -0.664706 1.016267
C 0.177758 -0.469860 -0.800213
C -0.778743 0.191887 0.204680
C 5.836364 -0.447075 0.068484
C -3.161483 0.050168 0.682844
C 6.711875 0.106810 -0.895573
C 6.391525 -1.067745 1.212779
C -3.557276 1.437534 0.214922
C -4.284618 -0.940774 0.450072
C 8.091342 0.029799 -0.715803
C 7.773911 -1.133876 1.372986
C 8.633934 -0.585430 0.416534
C -3.986796 2.395101 1.143148
C -5.378449 -0.950505 1.328423
C -3.504526 1.758719 -1.148359
C -4.242442 -1.836108 -0.626240
C -4.362195 3.669026 0.705627
C -6.423194 -1.855886 1.126640
C -3.877437 3.033500 -1.580776
C -5.289070 -2.741969 -0.820714
C -4.307398 3.989824 -0.654416
C -6.379973 -2.752989 0.053802
H 2.566977 -0.891703 -2.173646
H 2.031216 0.818485 -2.252834
H 1.471408 -1.227547 1.417371
H 2.228409 -2.140029 0.075751
H 3.780241 1.520618 -0.641302
H 4.526790 0.615602 -2.000990
H 3.441102 0.280370 1.596806
H 3.965457 -1.434151 1.697454
H -0.048931 -0.093040 -1.820381
H -0.017019 -1.564660 -0.833823
H -0.511743 -0.018121 1.253373
H -0.862905 1.280420 0.049584
H -2.855908 0.052720 1.756130
H 6.314347 0.582134 -1.789754
H 5.743449 -1.510615 1.966082
H 8.753878 0.456937 -1.468480
H 8.187740 -1.618703 2.257077
H 9.709588 -0.638262 0.550581
H -4.032538 2.153586 2.202935
H -5.420444 -0.251231 2.160786
H -3.167271 1.003170 -1.859680
H -3.384677 -1.823346 -1.301627
H -4.697783 4.412319 1.426540
H -7.273342 -1.862083 1.806298
H -3.836233 3.281526 -2.639842
H -5.253601 -3.438953 -1.656006
H -4.599933 4.982061 -0.992173
H -7.194767 -3.457388 -0.099723


%chk=000258325-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258325

0 1
O -2.139563 -0.664371 -0.294879
N 1.574149 -0.338022 -0.541050
N 4.445812 -0.404903 -0.141884
C 2.503053 -0.307437 -1.693486
C 2.169928 -1.146631 0.548665
C 3.856063 0.308942 -1.291426
C 3.506309 -0.534687 0.997106
C 0.194925 -0.752403 -0.893477
C -0.825935 -0.106998 0.055292
C 5.839267 -0.296468 0.103785
C -3.238321 -0.133850 0.540113
C 6.682345 0.524910 -0.707034
C 6.460705 -1.042722 1.153355
C -3.479262 1.352120 0.264575
C -4.468459 -1.012024 0.289642
C 8.075185 0.578297 -0.485487
C 7.850295 -0.972712 1.370329
C 8.677114 -0.165213 0.553290
C -3.252976 2.319845 1.271845
C -5.730413 -0.608908 0.795970
C -3.905924 1.778863 -1.019030
C -4.363246 -2.246086 -0.395766
C -3.457132 3.695205 1.009654
C -6.867564 -1.427510 0.623878
C -4.104564 3.149458 -1.286200
C -5.504370 -3.061979 -0.574648
C -3.883179 4.112618 -0.271163
C -6.759077 -2.659272 -0.063731
H 2.685782 -1.333365 -2.103979
H 2.058445 0.308775 -2.496344
H 1.480075 -1.165317 1.411523
H 2.341311 -2.203869 0.220695
H 3.709570 1.390702 -1.064000
H 4.537362 0.226166 -2.155774
H 3.307038 0.465423 1.445858
H 3.946440 -1.173706 1.777741
H -0.028644 -0.416692 -1.922254
H 0.063218 -1.860849 -0.875651
H -0.593375 -0.341274 1.118056
H -0.813404 0.993403 -0.068543
H -2.941546 -0.239328 1.611125
H 6.255853 1.145447 -1.500099
H 5.864098 -1.705687 1.787796
H 8.690517 1.220935 -1.126454
H 8.292417 -1.565593 2.179846
H 9.757426 -0.117013 0.724533
H -2.916603 1.997775 2.266086
H -5.824696 0.351983 1.315847
H -4.078791 1.029051 -1.799295
H -3.388352 -2.548362 -0.786828
H -3.281172 4.435333 1.798369
H -7.836483 -1.103532 1.020630
H -4.434386 3.470321 -2.280888
H -5.412166 -4.013003 -1.111931
H -4.041079 5.177002 -0.478789
H -7.641822 -3.294094 -0.201016


