%chk=000291223.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291223

0 1
O -2.705143 1.420711 0.942555
O -2.579040 1.492804 -1.297168
O -3.833462 -2.315562 -0.928590
O 2.668848 -4.272417 -0.157463
N -2.938370 -1.233372 -0.713695
N 2.420063 -3.111784 -0.076912
C -0.621350 0.712222 -0.048815
C 1.824920 -0.247566 0.149442
C -0.549222 -0.811835 -0.264481
C 0.356550 1.304683 -1.082954
C 0.036247 0.986692 1.314736
C 0.775543 -1.316164 -0.126149
C 1.671082 0.774897 -0.967045
C 1.352969 0.454772 1.411969
C -2.035154 1.248805 -0.238199
C -1.578022 -1.710076 -0.579877
C 1.047326 -2.682612 -0.241832
C 0.077880 2.250885 -2.058278
C -0.489132 1.687701 2.390653
C 2.685681 1.192052 -1.814893
C 2.107782 0.600576 2.565589
C -1.299925 -3.097104 -0.688471
C -0.016706 -3.576018 -0.516235
C 1.108639 2.675777 -2.916045
C 0.276108 1.839441 3.561666
C 2.395117 2.155148 -2.797435
C 1.556493 1.300525 3.652832
C -4.102127 1.822561 0.838170
H 2.855192 -0.653771 0.231114
H -0.928382 2.659258 -2.182415
H -1.489835 2.125467 2.355023
H 3.690923 0.784730 -1.727654
H 3.110829 0.184060 2.633732
H -2.121326 -3.778905 -0.926932
H 0.202742 -4.644694 -0.599712
H 0.889080 3.419050 -3.681612
H -0.146144 2.386745 4.403321
H 3.185019 2.490771 -3.468045
H 2.138968 1.420552 4.565046
H -3.072636 -0.655230 -1.568771
H -4.672659 1.002639 0.389454
H -4.186344 2.732531 0.235776
H -4.376175 1.989262 1.884698
H -4.242249 -2.464909 -0.014097


%chk=000291223-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291223

0 1
O -2.191197 2.438134 0.421117
O -3.137032 0.722308 -0.767935
O -3.727005 -2.976508 -0.802527
O 3.086257 -4.107921 -0.446350
N -2.886094 -1.873353 -0.354089
N 2.696143 -2.881834 -0.282160
C -0.767010 0.539381 0.029759
C 1.764068 -0.187323 0.129655
C -0.565842 -1.008162 -0.228485
C 0.147631 1.251715 -1.031673
C -0.103986 0.783823 1.422858
C 0.809002 -1.347666 -0.176504
C 1.503221 0.854306 -0.951747
C 1.259426 0.392439 1.451968
C -2.150613 1.171699 -0.123527
C -1.509207 -2.078687 -0.416828
C 1.276799 -2.678363 -0.351918
C -0.260707 2.176105 -2.011917
C -0.717002 1.261460 2.597686
C 2.460588 1.383768 -1.835091
C 2.017573 0.496195 2.630880
C -1.026059 -3.422184 -0.608629
C 0.329495 -3.719663 -0.583744
C 0.700590 2.712024 -2.903620
C 0.042684 1.361491 3.789616
C 2.055812 2.322915 -2.814349
C 1.405147 0.989730 3.808297
C -3.439928 3.213019 0.192808
H 2.806803 -0.529136 0.169932
H -1.306731 2.485958 -2.106780
H -1.766283 1.566444 2.602222
H 3.505530 1.062016 -1.767179
H 3.067483 0.183463 2.636080
H -1.771259 -4.197839 -0.797235
H 0.701559 -4.738481 -0.735903
H 0.387477 3.429507 -3.669934
H -0.434707 1.731522 4.703777
H 2.792393 2.741546 -3.508653
H 1.984513 1.073055 4.734245
H -3.257918 -0.954704 -0.669635
H -4.301516 2.683306 0.631061
H -3.607972 3.349404 -0.888247
H -3.258972 4.172844 0.694380
H -4.162557 -3.304455 0.030318


