%chk=000278067.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278067

0 1
O 2.500239 0.053891 0.744777
O 4.130148 -2.308980 0.372445
O 4.123824 2.354367 0.073652
N 3.772985 0.021687 0.214768
C -4.867845 0.023069 0.368719
C -6.112154 -0.030523 -0.527970
C -3.577048 -0.025244 -0.460016
C -7.402887 0.017933 0.300855
C -2.333628 0.028367 0.437747
C -8.647580 -0.035646 -0.595353
C -1.043059 -0.020047 -0.391345
C -9.937950 0.012710 0.233638
C 0.194974 0.033864 0.510506
C -11.184061 -0.040747 -0.661526
C 1.474243 -0.015231 -0.320802
C -12.471462 0.007118 0.158553
C 5.949153 -0.706081 -0.057587
C 5.947234 0.714612 -0.148600
C 4.554320 -1.198549 0.222097
C 4.551030 1.234978 0.066191
C 7.110893 -1.429676 -0.219632
C 7.107051 1.414739 -0.401849
C 8.304123 -0.712735 -0.475981
C 8.302250 0.674162 -0.564826
H -4.886535 0.943799 0.983332
H -4.885660 -0.818910 1.087462
H -6.094908 0.811449 -1.246594
H -6.094126 -0.951330 -1.142317
H -3.560054 0.817030 -1.178422
H -3.559207 -0.946188 -1.074315
H -7.421351 0.938654 0.915351
H -7.420558 -0.823922 1.019634
H -2.352461 0.949262 1.052604
H -2.351672 -0.813707 1.156798
H -8.629353 -0.956399 -1.209728
H -8.630219 0.806349 -1.313903
H -1.024993 -0.942561 -1.004309
H -1.025838 0.823829 -1.108754
H -9.957687 0.932839 0.848648
H -9.956861 -0.828648 0.952681
H 0.188779 -0.807194 1.234193
H 0.188407 0.954886 1.129300
H -11.166648 -0.962169 -1.275868
H -11.167453 0.801933 -1.380104
H 1.594245 0.850762 -0.989671
H 1.598217 -0.957200 -0.876685
H -12.538392 0.926510 0.751228
H -13.354829 -0.031220 -0.488449
H -12.537849 -0.836461 0.854965
H 7.116466 -2.518551 -0.151620
H 7.109682 2.503403 -0.473335
H 9.235455 -1.267186 -0.603587
H 9.232109 1.210302 -0.762297


%chk=000278067-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000278067

0 1
O 2.644200 0.133301 1.094650
O 4.230907 -2.304556 0.644462
O 4.263769 2.411441 0.161112
N 3.927516 0.065802 0.500043
C -4.894981 0.033244 0.444143
C -6.126364 0.005254 -0.488951
C -3.549899 0.033979 -0.316769
C -7.471118 -0.002898 0.272501
C -2.321146 0.068058 0.619274
C -8.703248 -0.027334 -0.659953
C -0.976079 0.053874 -0.141806
C -10.048264 -0.038188 0.101097
C 0.242961 0.099823 0.810808
C -11.280067 -0.061024 -0.832594
C 1.563142 0.058039 0.044077
C -12.619672 -0.072268 -0.064660
C 6.010319 -0.724637 -0.110756
C 6.020231 0.686589 -0.255872
C 4.663054 -1.159232 0.386377
C 4.680604 1.231865 0.142908
C 7.139808 -1.498235 -0.415234
C 7.159782 1.366080 -0.710618
C 8.298956 -0.818709 -0.873723
C 8.308688 0.591319 -1.019306
H -4.948534 0.931569 1.094327
H -4.930529 -0.843905 1.123749
H -6.093946 0.885141 -1.165315
H -6.070798 -0.890516 -1.142670
H -3.515948 0.908547 -0.999755
H -3.494872 -0.867299 -0.962783
H -7.525905 0.891259 0.928439
H -7.504656 -0.884223 0.946918
H -2.370839 0.974337 1.257879
H -2.360129 -0.801026 1.308263
H -8.647731 -0.920577 -1.317232
H -8.670802 0.855082 -1.333135
H -0.923644 -0.858279 -0.771859
H -0.939531 0.918740 -0.836109
H -10.105275 0.854327 0.759181
H -10.083080 -0.921238 0.773295
H 0.206120 -0.755967 1.511447
H 0.209266 1.023049 1.420260
H -11.221855 -0.952762 -1.489922
H -11.244240 0.821577 -1.503645
H 1.677334 0.924344 -0.634657
H 1.687067 -0.887967 -0.516072
H -12.716917 0.825151 0.575299
H -13.483508 -0.090469 -0.754576
H -12.692261 -0.960187 0.591625
H 7.119800 -2.586284 -0.298618
H 7.155155 2.455238 -0.818177
H 9.200766 -1.390024 -1.118407
H 9.217892 1.088171 -1.374261


