%chk=000208319.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208319

0 1
O 0.196777 -1.992338 0.126205
O -0.835541 2.501993 -0.198163
N 1.376928 1.885126 -0.188435
N -0.381331 0.222226 -0.032099
N 3.057768 -1.413820 0.123267
C 1.999694 -0.419108 0.021346
C 2.374177 0.896019 -0.098982
C 0.599474 -0.851425 0.049023
C -0.029675 1.592892 -0.143772
C -1.806518 -0.104673 0.007167
C 3.793716 1.345617 -0.140939
C 1.743944 3.318809 -0.333749
C 2.970880 -2.145625 1.424937
C 3.002302 -2.365555 -1.029370
C -2.297497 -1.126979 -0.820330
C -2.658975 0.598378 0.873332
C -3.656815 -1.444843 -0.770160
C -4.015950 0.269158 0.903443
C -4.516565 -0.749909 0.086530
H 4.040931 2.026472 0.685818
H 4.044940 1.844859 -1.087483
H 4.483848 0.479683 -0.050552
H 2.322617 3.483146 -1.257257
H 2.326559 3.664512 0.535593
H 0.827106 3.944354 -0.394986
H 3.011906 -1.421641 2.252645
H 3.844447 -2.809210 1.512830
H 2.057057 -2.753482 1.542224
H 3.877365 -3.030984 -0.976196
H 3.064591 -1.800209 -1.971291
H 2.091445 -2.988092 -1.058268
H -1.624485 -1.682985 -1.473329
H -2.274642 1.405250 1.497178
H -4.045565 -2.241103 -1.403853
H -4.685810 0.812786 1.568581
H -5.574607 -1.002002 0.117697


%chk=000208319-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208319

0 1
O 0.163268 -2.027689 0.194390
O -0.897344 2.534335 -0.314609
N 1.356887 1.887699 -0.243798
N -0.388817 0.252158 -0.053897
N 2.995004 -1.453812 0.172561
C 1.980104 -0.440463 0.038744
C 2.339557 0.892430 -0.117808
C 0.564106 -0.833482 0.068248
C -0.040533 1.613660 -0.208910
C -1.811163 -0.073888 -0.007748
C 3.785100 1.319061 -0.158001
C 1.735845 3.308909 -0.417840
C 3.022481 -2.125300 1.496957
C 3.070809 -2.404856 -0.965437
C -2.354910 -0.947954 -0.973431
C -2.623905 0.471698 1.009453
C -3.726860 -1.276545 -0.919373
C -3.995955 0.143584 1.054452
C -4.550736 -0.731519 0.092023
H 4.019602 2.045402 0.642141
H 4.045457 1.793206 -1.122753
H 4.397961 0.415208 -0.022148
H 2.354042 3.439534 -1.321903
H 2.292354 3.677832 0.460852
H 0.805618 3.885139 -0.525186
H 3.050867 -1.363771 2.296015
H 3.943633 -2.733022 1.568877
H 2.144582 -2.785494 1.663905
H 3.994883 -3.004576 -0.867762
H 3.126397 -1.841989 -1.913822
H 2.200861 -3.094839 -1.009134
H -1.709497 -1.376315 -1.745346
H -2.190846 1.156413 1.744628
H -4.149550 -1.958080 -1.665473
H -4.629258 0.571356 1.839167
H -5.615546 -0.986731 0.130569


