%chk=000191203.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191203

0 1
O -2.639798 1.640007 -1.964280
O 2.155577 -0.032562 -1.140087
O -6.268015 -0.581265 -0.562719
O -6.853133 1.192640 0.669784
O 5.479467 -1.409512 1.303710
O 7.399953 -0.371369 0.820008
N -0.312104 -0.362665 0.138389
N -4.954939 -1.607769 1.615597
N 4.803958 -1.084127 -1.378559
C -2.133283 0.446542 -1.351929
C -3.231940 -0.282488 -0.568012
C -3.613520 0.403424 0.744630
C -0.887088 0.846191 -0.526886
C -4.911263 -0.145665 1.375113
C 0.918745 -0.044959 0.904862
C 3.385779 0.662118 0.801890
C 4.511499 1.140265 -0.115950
C 2.164091 0.185963 0.051608
C 5.445589 0.022922 -0.631932
C -6.109085 0.255463 0.517910
C 6.250065 -0.570112 0.521269
H -1.833240 -0.153892 -2.246077
H -4.126101 -0.382414 -1.224974
H -2.889766 -1.317379 -0.362530
H -3.718161 1.496518 0.594023
H -2.783219 0.279877 1.473664
H -0.170458 1.361192 -1.207586
H -1.164196 1.587379 0.251268
H -5.057220 0.352018 2.380830
H -0.079282 -1.063503 -0.582459
H 0.732425 0.824136 1.573884
H 1.104716 -0.907698 1.591964
H 3.111373 1.475433 1.504641
H 3.750230 -0.167891 1.457976
H 4.075047 1.658821 -0.998631
H 5.117282 1.907098 0.409123
H 6.197543 0.493344 -1.336362
H -3.133651 2.189947 -1.325281
H -5.010514 -2.122252 0.736919
H -4.112086 -1.913556 2.095816
H 4.212360 -1.642243 -0.763741
H 4.187529 -0.707962 -2.103624
H -7.062752 -0.346030 -1.115005
H 6.008884 -1.850484 2.021543


%chk=000191203-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191203

0 1
O -2.806179 2.969768 -1.779827
O 1.968557 0.954213 -1.545221
O -4.696283 -2.294540 2.059254
O -5.047762 -1.864808 -0.194934
O 4.939772 -2.900293 1.117383
O 5.566560 -0.914464 2.138037
N -0.556481 0.209223 -0.481838
N -2.565658 -0.289927 1.612745
N 3.590065 -1.580480 -0.798566
C -2.346019 1.576640 -1.584491
C -3.506833 0.633688 -1.192480
C -4.196435 0.940315 0.174198
C -1.132490 1.577704 -0.626973
C -3.993242 -0.111940 1.288367
C 0.654539 0.163436 0.356337
C 3.136572 0.945590 0.604129
C 4.486326 0.635701 -0.076623
C 1.935786 0.703447 -0.307082
C 4.749177 -0.883656 -0.214022
C -4.645756 -1.461893 0.919689
C 5.112924 -1.507407 1.137538
H -1.998571 1.293475 -2.596644
H -4.258364 0.695470 -1.999528
H -3.136430 -0.406616 -1.208684
H -5.283119 1.064215 0.016561
H -3.830348 1.899769 0.595615
H -0.398195 2.312814 -1.018740
H -1.449514 1.906428 0.382984
H -4.516497 0.240765 2.199531
H -0.350071 -0.188926 -1.411478
H 0.461078 0.706496 1.301842
H 0.885196 -0.884949 0.637769
H 3.113204 2.021185 0.880460
H 3.022711 0.378865 1.546498
H 4.482184 1.088025 -1.085826
H 5.315251 1.084284 0.497653
H 5.684061 -0.997634 -0.822729
H -3.241119 3.277411 -0.943355
H -2.396364 -0.965503 2.364205
H -1.927786 -0.386025 0.793953
H 3.654237 -2.601959 -0.756360
H 3.322368 -1.219174 -1.719359
H -5.062604 -3.182518 1.796988
H 5.218852 -3.282714 1.992824


