%chk=000179306.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179306

0 1
O 0.468945 -2.989277 1.858811
O -1.171680 -1.633967 2.244696
O -4.872246 0.220380 -0.351855
O -3.906795 -0.801580 -1.996459
N -0.434055 -2.255430 1.505661
N -3.954220 -0.405594 -0.847133
C 0.105783 -0.973836 -0.632116
C -0.662785 -2.166663 -0.010808
C -0.468043 0.338582 -0.153725
C -2.150746 -2.060595 -0.338038
C -2.764331 -0.717284 0.080796
C -1.823825 0.465920 0.084236
C 1.606634 -1.108067 -0.509883
C 0.395056 1.476214 -0.013654
C 2.421691 0.024211 -0.313092
C 1.823657 1.361366 -0.144425
C -0.171352 2.744640 0.274030
C -2.377413 1.739029 0.429448
C -1.581306 2.849255 0.497426
C 2.201009 -2.370362 -0.671408
C 2.603144 2.500708 -0.074408
C 3.819548 -0.143794 -0.260022
C 0.668874 3.898475 0.345942
C 2.022896 3.775683 0.160119
C 3.586061 -2.521080 -0.618060
C 4.399016 -1.401661 -0.410300
H -0.109111 -1.007608 -1.747823
H -0.253642 -3.127043 -0.439906
H -2.277484 -2.214040 -1.440060
H -2.716231 -2.890792 0.135828
H -3.174582 -0.812044 1.133503
H -3.451114 1.813242 0.631704
H -2.004170 3.826133 0.734275
H 1.578292 -3.253255 -0.824482
H 3.687329 2.441922 -0.187851
H 4.461472 0.724106 -0.094934
H 0.214867 4.867541 0.549201
H 2.675151 4.648309 0.200658
H 4.032396 -3.508152 -0.733128
H 5.481509 -1.513893 -0.363065


%chk=000179306-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179306

0 1
O 0.920926 -2.382028 2.161315
O -0.931535 -1.135858 2.636962
O -4.232317 -0.031151 -2.028265
O -2.559416 -1.524720 -2.441224
N -0.211519 -1.858015 1.849574
N -3.249379 -0.766214 -1.658781
C -0.026149 -1.007467 -0.535819
C -0.698570 -2.079169 0.404340
C -0.548141 0.363586 -0.146236
C -2.238275 -2.029023 0.327346
C -2.842907 -0.682299 -0.140626
C -1.935321 0.521018 0.022184
C 1.487631 -1.122695 -0.643714
C 0.337599 1.462225 0.091774
C 2.344142 -0.012072 -0.385324
C 1.772947 1.308131 -0.009786
C -0.228467 2.746292 0.455214
C -2.488117 1.787804 0.372830
C -1.649777 2.881251 0.575484
C 2.040636 -2.353851 -1.071340
C 2.581360 2.429821 0.249770
C 3.748757 -0.202545 -0.532717
C 0.641743 3.856050 0.697644
C 2.023961 3.693286 0.596423
C 3.428954 -2.523042 -1.218694
C 4.289066 -1.435612 -0.935915
H -0.451650 -1.274366 -1.527784
H -0.316719 -3.080208 0.151526
H -2.570741 -2.828574 -0.356847
H -2.652177 -2.246742 1.325758
H -3.812043 -0.493520 0.347860
H -3.572971 1.889293 0.482926
H -2.066684 3.857351 0.847275
H 1.373596 -3.194534 -1.297754
H 3.670244 2.351972 0.190759
H 4.436282 0.624622 -0.335831
H 0.208349 4.825468 0.967916
H 2.693717 4.538549 0.786882
H 3.837523 -3.484061 -1.547748
H 5.373640 -1.549247 -1.037656


