%chk=000211006.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211006

1 1
O 2.542204 1.551026 -0.252706
N -3.714785 -0.057232 -0.038790
N 3.856751 -0.288486 -0.034705
C -2.339967 0.593550 0.160970
C -1.168149 -0.392755 0.100887
C 0.150123 0.393834 0.129933
C -4.778003 1.015336 0.089323
C -3.810925 -0.677550 -1.414876
C -3.962664 -1.117243 1.010828
C 1.375176 -0.525143 0.082485
C 2.622515 0.340417 -0.078514
C 4.026195 -1.739193 0.178773
C 5.091972 0.516343 -0.180814
H -2.206384 1.384906 -0.617722
H -2.333021 1.124169 1.143828
H -1.205671 -1.011026 -0.818928
H -1.194653 -1.099610 0.954448
H 0.212855 1.032888 1.036577
H 0.205697 1.109100 -0.722779
H -4.766392 1.488407 1.090094
H -4.639411 1.822817 -0.655446
H -5.795971 0.608032 -0.063300
H -3.659483 0.074403 -2.213533
H -3.043578 -1.462660 -1.563129
H -4.797835 -1.146408 -1.588728
H -4.981512 -1.542766 0.934404
H -3.252067 -1.960816 0.918400
H -3.853452 -0.710746 2.034711
H 1.444559 -1.137442 1.002745
H 1.309668 -1.237363 -0.763746
H 5.093726 -2.021831 0.129655
H 3.503253 -2.322587 -0.597871
H 3.656388 -2.045077 1.172643
H 4.836399 1.587351 -0.324357
H 5.671837 0.188116 -1.059028
H 5.721805 0.438140 0.720469


%chk=000211006-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211006

1 1
O 2.563904 1.623026 0.073376
N -3.768489 -0.068031 -0.048913
N 3.910211 -0.276518 0.050162
C -2.338731 0.544432 0.029245
C -1.164048 -0.444642 -0.010528
C 0.156129 0.368477 0.041639
C -4.776589 1.079117 0.037935
C -3.967810 -0.803428 -1.371767
C -4.008309 -1.028823 1.112314
C 1.408477 -0.531250 0.021830
C 2.676698 0.353766 0.050743
C 4.125138 -1.731620 0.025527
C 5.137333 0.544871 0.080514
H -2.272900 1.252276 -0.816736
H -2.316455 1.127883 0.967433
H -1.178473 -1.049703 -0.937271
H -1.196904 -1.139503 0.850184
H 0.185556 0.998163 0.949991
H 0.210573 1.070297 -0.810654
H -4.644475 1.602307 0.997175
H -4.598979 1.778344 -0.793266
H -5.797121 0.671788 -0.027966
H -3.759476 -0.111214 -2.201771
H -3.284073 -1.662100 -1.421706
H -5.009175 -1.155857 -1.430872
H -5.054351 -1.370965 1.082052
H -3.334320 -1.891436 1.018801
H -3.813708 -0.503120 2.059518
H 1.402356 -1.216865 0.892524
H 1.410162 -1.166271 -0.886816
H 4.732964 -2.014994 -0.855151
H 3.175282 -2.282088 -0.023175
H 4.668691 -2.058339 0.933152
H 4.847989 1.605464 0.105276
H 5.751975 0.352713 -0.818820
H 5.738149 0.306747 0.978222


