%chk=000296458.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296458

0 1
O 2.087634 -0.219657 1.345390
O 2.932369 2.784154 0.003317
O 3.946394 0.171065 -1.688144
O 2.071059 -2.969748 0.244813
O -4.338823 0.230809 -0.530457
N -0.577072 2.112625 0.159304
N -1.867678 1.887380 -0.131014
N -0.674471 -1.483002 0.534026
N -3.053212 -1.668118 -0.006456
C 2.500154 1.464025 -0.328655
C 1.587798 1.038672 0.855144
C 3.662103 0.438727 -0.313334
C 3.069111 -0.781778 0.433132
C 0.151576 0.947619 0.463838
C 2.400086 -1.800896 -0.502521
C -0.769456 -0.109310 0.359967
C -2.036793 0.533365 -0.018091
C -3.168851 -0.344938 -0.185737
C -1.794539 -2.178900 0.347792
C -5.492541 -0.655090 -0.699619
H 1.995771 1.475745 -1.319773
H 1.715480 1.729867 1.730329
H 4.568725 0.842060 0.183019
H 3.775130 -1.283902 1.130237
H 3.094803 -2.164551 -1.281255
H 1.492994 -1.383578 -0.976334
H 3.538904 3.129132 -0.689498
H 4.727129 -0.417310 -1.770519
H -0.202121 3.057283 0.142021
H 1.314081 -2.752750 0.855909
H -1.766140 -3.274467 0.474787
H -5.706183 -1.169976 0.242528
H -5.294408 -1.373357 -1.501547
H -6.274215 0.064500 -0.967901


%chk=000296458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296458

0 1
O 2.063260 -0.249747 1.371580
O 2.751729 2.746338 -0.483545
O 4.426260 0.242276 -1.446923
O 1.716157 -2.823987 0.167630
O -4.439547 0.270039 -0.333723
N -0.631891 2.119278 0.358813
N -1.982915 1.935489 0.102841
N -0.660433 -1.469712 0.327308
N -3.061179 -1.633889 -0.108480
C 2.502786 1.308472 -0.441873
C 1.598789 1.025724 0.785475
C 3.744965 0.437042 -0.164626
C 3.131009 -0.827576 0.491054
C 0.124688 0.968616 0.493686
C 2.537206 -1.847048 -0.511158
C -0.803702 -0.088466 0.315104
C -2.080760 0.563482 0.082930
C -3.212790 -0.296385 -0.123299
C -1.796832 -2.155810 0.109055
C -5.580629 -0.657782 -0.538417
H 2.043889 0.962874 -1.389883
H 1.797527 1.833598 1.520091
H 4.399452 0.962611 0.561663
H 3.810410 -1.346428 1.188493
H 3.362723 -2.394804 -1.002256
H 1.972275 -1.314691 -1.309440
H 3.318628 2.944378 -1.271142
H 5.286177 -0.225920 -1.305052
H -0.277691 3.075772 0.406102
H 0.838548 -2.357416 0.403960
H -1.726423 -3.246823 0.099720
H -5.708053 -1.305447 0.344315
H -5.405761 -1.286608 -1.426679
H -6.443077 0.008249 -0.678627


