%chk=000106172.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000106172

0 1
O -0.940769 2.278946 -0.031795
O 0.879420 0.805370 -0.010988
O 6.802608 -0.171487 -0.002955
O 5.926699 1.808116 -0.031619
N -0.005457 -0.331876 0.007532
N 0.620737 -1.486187 0.024714
N 5.852497 0.592388 -0.013203
C -3.636587 -0.833552 0.019227
C -4.103653 0.561000 -0.001820
C -2.300795 -1.111057 0.022054
C -1.320903 -0.049997 0.004586
C -3.211173 1.587163 -0.018658
C -4.637367 -1.897108 0.036776
C -5.547786 0.793474 -0.003829
C -1.768482 1.384870 -0.017118
C -5.958879 -1.614603 0.033859
C -6.422844 -0.236073 0.013052
C 2.006254 -1.212820 0.019049
C 4.496025 -0.009063 -0.002419
C 2.155942 0.218483 -0.003396
C 3.131523 -2.037617 0.030629
C 3.383287 0.852235 -0.014618
C 4.380441 -1.414480 0.019576
H -1.934825 -2.143102 0.037613
H -3.527031 2.631887 -0.034456
H -4.272564 -2.924677 0.052271
H -5.882441 1.831093 -0.019506
H -6.713882 -2.399499 0.046832
H -7.500919 -0.070089 0.011670
H 3.030768 -3.123826 0.047528
H 3.491915 1.942927 -0.031694
H 5.297140 -2.020841 0.028006


%chk=000106172-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106172

0 1
O -1.094188 2.566494 -0.033581
O 0.988105 0.992902 -0.013214
O 6.893294 -0.442418 -0.000213
O 6.098391 1.701448 -0.032501
N -0.005059 -0.152438 0.006591
N 0.591358 -1.354339 0.024723
N 5.927157 0.418974 -0.012864
C -3.633261 -0.806324 0.019325
C -4.181941 0.557740 -0.001555
C -2.238177 -0.992809 0.021479
C -1.359437 0.122104 0.003665
C -3.313228 1.654875 -0.018843
C -4.542996 -1.925968 0.036929
C -5.622662 0.719408 -0.003523
C -1.865584 1.537444 -0.017590
C -5.915861 -1.723220 0.034216
C -6.460482 -0.383838 0.013741
C 1.960263 -1.114078 0.018643
C 4.542093 -0.093080 -0.002142
C 2.209432 0.293219 -0.004124
C 3.039430 -2.030694 0.031351
C 3.484926 0.851308 -0.015211
C 4.339364 -1.501582 0.020644
H -1.818896 -2.003168 0.036770
H -3.702847 2.678434 -0.034413
H -4.130683 -2.941151 0.052450
H -6.034610 1.734298 -0.019044
H -6.599621 -2.578347 0.047604
H -7.547446 -0.250097 0.012045
H 2.858240 -3.107572 0.048768
H 3.686021 1.923645 -0.032600
H 5.217803 -2.151173 0.029377


