%chk=000210968.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210968

0 1
O -1.610910 -0.399631 2.499619
O -0.832610 0.257781 -2.153558
N 3.504289 -1.219041 0.096580
C -1.672761 -0.490318 0.039174
C 5.498844 0.564040 -1.111396
C 3.998778 0.705752 -1.396208
C 5.708011 -0.082147 0.263531
C 3.279306 -0.647418 -1.272792
C 4.968405 -1.427018 0.361105
C -1.262158 -1.975601 -0.100810
C -1.239998 0.034618 1.441791
C -0.844029 0.374834 -0.956516
C -3.164328 -0.362098 -0.188531
C -0.277022 1.157254 1.227226
C -0.051410 1.355113 -0.154148
C 2.776178 -2.527785 0.264222
C 0.158109 -2.170627 0.033666
C 0.364805 1.938052 2.174804
C 0.815619 2.338458 -0.602508
C -3.670439 -0.155325 -1.481476
C -4.061022 -0.503405 0.882172
C 1.349057 -2.335443 0.136561
C 1.245309 2.940236 1.721664
C 1.465992 3.137371 0.358388
C -5.048028 -0.058442 -1.692473
C -5.437890 -0.405964 0.666628
C -5.936140 -0.178503 -0.619548
H 5.980446 -0.046961 -1.897936
H 5.990154 1.553493 -1.146819
H 3.549205 1.422848 -0.679314
H 3.832682 1.121801 -2.406099
H 6.783973 -0.234731 0.462092
H 5.334147 0.598461 1.055015
H 2.183694 -0.495410 -1.401620
H 3.609238 -1.330454 -2.084021
H 5.431780 -2.163391 -0.330087
H 5.073972 -1.831206 1.391334
H -1.609937 -2.354281 -1.093206
H -1.809895 -2.574904 0.667457
H 3.002820 -2.907154 1.294462
H 3.114800 -3.317245 -0.452191
H 0.196186 1.776667 3.240173
H 0.989950 2.486559 -1.668494
H -2.992329 -0.075435 -2.336362
H -3.691019 -0.697514 1.893532
H 1.762623 3.564215 2.451365
H 2.152756 3.916912 0.027191
H -5.428571 0.108776 -2.699197
H -6.123506 -0.510759 1.506445
H -7.008628 -0.099834 -0.785187


%chk=000210968-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210968

0 1
O -1.574276 -0.522607 2.571850
O -0.735926 0.335410 -2.122095
N 3.617134 -1.274390 0.010696
C -1.675506 -0.460511 0.065440
C 5.663210 0.410554 -1.261683
C 4.168674 0.499633 -1.647095
C 5.807862 -0.103006 0.189421
C 3.459526 -0.846780 -1.404129
C 5.047077 -1.431178 0.379376
C -1.270063 -1.967719 -0.138658
C -1.258681 0.027780 1.485255
C -0.839922 0.459184 -0.873612
C -3.199415 -0.319833 -0.178310
C -0.396240 1.232627 1.333903
C -0.152722 1.483462 -0.039291
C 2.848469 -2.511472 0.320608
C 0.174080 -2.202460 0.027112
C 0.169472 2.047831 2.335894
C 0.665801 2.554956 -0.452099
C -3.701389 -0.076618 -1.484061
C -4.120647 -0.523974 0.882649
C 1.392742 -2.338786 0.161091
C 0.983276 3.128291 1.927481
C 1.229217 3.379250 0.547606
C -5.093546 -0.020268 -1.717121
C -5.511780 -0.466697 0.644198
C -6.005901 -0.212098 -0.655098
H 6.178192 -0.289954 -1.951855
H 6.155862 1.395073 -1.374863
H 3.671161 1.275267 -1.032415
H 4.054419 0.786490 -2.710213
H 6.874205 -0.249734 0.448826
H 5.389961 0.645661 0.889861
H 2.380487 -0.759334 -1.622690
H 3.881462 -1.618883 -2.103091
H 5.542115 -2.229008 -0.238809
H 5.102774 -1.751961 1.437305
H -1.597009 -2.264009 -1.153090
H -1.848116 -2.565735 0.591062
H 3.067384 -2.788476 1.370829
H 3.179008 -3.376199 -0.314999
H -0.019291 1.837256 3.393167
H 0.852635 2.730540 -1.516314
H -3.005696 0.064121 -2.317081
H -3.750999 -0.730558 1.891808
H 1.437921 3.782559 2.679381
H 1.868119 4.222371 0.262766
H -5.463062 0.171022 -2.730968
H -6.208110 -0.624185 1.475664
H -7.085451 -0.167708 -0.837913


