%chk=000113376.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000113376

1 1
N -3.821745 -1.110199 -0.360582
N -3.556674 1.024751 0.275557
N 4.885683 -0.149690 0.095503
N -1.487718 -0.471888 -0.125989
N -0.657932 0.459754 0.165756
C -2.861121 -0.144882 -0.056406
C -5.097815 -0.542968 -0.218095
C -4.934824 0.778206 0.175552
C 3.530286 -0.033132 0.102840
C -3.557989 -2.496730 -0.765189
C -2.944760 2.300494 0.664591
C 0.692497 0.211075 0.118886
C 2.687144 -1.151245 -0.244480
C 2.894614 1.211716 0.458140
C 1.324903 -1.028129 -0.234996
C 1.530994 1.325896 0.464963
C 5.559387 -1.417562 -0.266066
C 5.769963 0.984318 0.447917
H -6.012172 -1.093766 -0.398893
H -5.690236 1.525436 0.381532
H -2.466937 -2.704090 -0.804628
H -4.009336 -3.208101 -0.045469
H -3.974725 -2.697688 -1.772024
H -3.712634 3.067045 0.875971
H -2.316529 2.174917 1.571879
H -2.282758 2.681316 -0.141847
H 3.137557 -2.104411 -0.517488
H 3.504408 2.073845 0.724921
H 0.688795 -1.879621 -0.499335
H 1.055092 2.274046 0.735820
H 5.272295 -2.233576 0.424117
H 6.658620 -1.317475 -0.212096
H 5.310206 -1.721536 -1.300559
H 6.835226 0.696928 0.385984
H 5.585048 1.328457 1.483322
H 5.621588 1.836288 -0.242609


%chk=000113376-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113376

1 1
N -3.768213 -1.122142 -0.367340
N -3.555803 1.002002 0.275868
N 4.894068 -0.186877 0.085332
N -1.493747 -0.426245 -0.115168
N -0.678495 0.595153 0.199481
C -2.833866 -0.142058 -0.055306
C -5.056289 -0.598083 -0.232911
C -4.924877 0.720850 0.166399
C 3.527900 -0.019622 0.103386
C -3.435216 -2.499344 -0.777247
C -3.005692 2.313309 0.681235
C 0.677899 0.313613 0.143051
C 2.640820 -1.114515 -0.230942
C 2.935539 1.248237 0.456392
C 1.262462 -0.952363 -0.211597
C 1.553528 1.401088 0.473831
C 5.493242 -1.491806 -0.273338
C 5.792832 0.937812 0.426558
H -5.947589 -1.186414 -0.426136
H -5.686270 1.465617 0.376760
H -2.340536 -2.595255 -0.788182
H -3.862497 -3.219644 -0.060558
H -3.834184 -2.699122 -1.785169
H -3.849786 2.993812 0.873514
H -2.395219 2.206853 1.590095
H -2.367479 2.722830 -0.115579
H 3.056088 -2.087595 -0.503792
H 3.567757 2.100267 0.714432
H 0.601264 -1.785742 -0.465139
H 1.102613 2.361753 0.742386
H 5.175836 -2.285074 0.428347
H 6.588436 -1.413501 -0.225753
H 5.215928 -1.792420 -1.300534
H 6.837370 0.603191 0.357847
H 5.613737 1.294657 1.457661
H 5.656842 1.784577 -0.271383


