%chk=000279263.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279263

0 1
I 0.676670 2.027110 -0.683164
O -5.558212 0.404123 0.578198
O -4.618950 2.352605 0.587441
N 1.114622 -1.828913 0.331554
N -4.593824 1.141201 0.446551
C 0.448100 -1.355433 -0.926691
C 2.601407 -1.944356 0.138048
C -0.850019 -0.668591 -0.567621
C 3.221758 -0.568909 0.063218
C 0.558350 -3.139530 0.781020
C -0.955212 0.721256 -0.408314
C -2.013637 -1.452542 -0.419172
C 3.876016 -0.150246 -1.104262
C 3.157385 0.288355 1.172129
C -2.166138 1.323057 -0.071405
C -3.233775 -0.874172 -0.088268
C -3.303720 0.517993 0.089330
C 4.459010 1.119265 -1.160074
C 3.745299 1.554366 1.111759
C 4.395234 1.972758 -0.054401
H 0.258485 -2.169904 -1.660853
H 1.128077 -0.631936 -1.449169
H 2.878339 -2.557923 -0.746737
H 3.023729 -2.476752 1.023577
H -0.505822 -3.007262 1.037492
H 1.063811 -3.443850 1.712986
H 0.647010 -3.960445 0.055437
H -1.954185 -2.532718 -0.562203
H 3.931689 -0.806327 -1.969514
H 2.624607 -0.029331 2.068542
H -2.250126 2.410764 0.068297
H -4.136388 -1.483548 0.034741
H 4.964820 1.442720 -2.067929
H 3.690982 2.218166 1.973087
H 4.853907 2.957949 -0.098929


%chk=000279263-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279263

0 1
I 0.118134 2.119367 0.995263
O -6.029987 -0.223689 -0.267447
O -5.389328 1.667693 0.835478
N 1.116034 -1.466089 0.544573
N -5.129499 0.576260 0.197692
C 0.453510 -0.894471 -0.659687
C 2.543619 -1.796536 0.261102
C -0.983693 -0.463286 -0.409350
C 3.420782 -0.580058 -0.000297
C 0.400014 -2.637939 1.097506
C -1.353140 0.731442 0.271092
C -2.035526 -1.290956 -0.893211
C 4.119635 -0.435600 -1.223852
C 3.585641 0.409079 1.003255
C -2.704654 1.076543 0.476288
C -3.393139 -0.974476 -0.708773
C -3.705259 0.213042 -0.016145
C 4.969180 0.673917 -1.445166
C 4.433060 1.516769 0.787316
C 5.128957 1.652616 -0.438372
H 0.452030 -1.633592 -1.503180
H 1.056895 -0.026340 -0.985344
H 2.629687 -2.506910 -0.601855
H 2.921089 -2.332914 1.153005
H -0.622764 -2.355120 1.396055
H 0.930421 -2.993433 1.997816
H 0.327569 -3.492705 0.377109
H -1.765106 -2.208836 -1.426965
H 4.002040 -1.196240 -2.006210
H 3.031300 0.307188 1.942866
H -2.998951 1.991439 0.995711
H -4.196295 -1.614306 -1.081809
H 5.503203 0.772923 -2.396931
H 4.555431 2.272371 1.572058
H 5.788410 2.511849 -0.604890


