%chk=000179172.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179172

0 1
O -1.564271 0.301700 -0.690080
O 3.060041 0.711062 1.260857
O -3.672590 1.191476 -0.845165
N -3.252418 -0.865979 0.221013
N -0.448055 0.494354 -3.829910
C -4.663586 -1.206701 0.650571
C -5.545332 -1.308708 -0.599698
C -4.583377 -2.556375 1.379095
C -5.171021 -0.105202 1.589210
C -2.957273 0.287503 -0.463787
C -1.054560 1.431674 -1.455082
C 0.175937 1.923994 -0.721709
C 1.038334 1.004505 -0.114065
C 0.434643 3.298874 -0.665875
C 2.167543 1.500942 0.544592
C 1.572736 3.765413 0.005888
C 2.454430 2.875130 0.615781
C -0.713024 0.908276 -2.786358
C 3.265292 -0.622775 0.888526
C 3.331549 -1.045575 -0.442828
C 3.508472 -1.479848 1.971350
C 3.650780 -2.384052 -0.689106
C 3.831967 -2.808953 1.694432
C 3.898734 -3.262808 0.370985
H -5.179389 -2.063310 -1.304383
H -6.576718 -1.568714 -0.341082
H -5.580132 -0.350714 -1.143262
H -3.946284 -2.512694 2.270033
H -5.579892 -2.867224 1.718492
H -4.207002 -3.357544 0.732270
H -5.201746 0.870816 1.078801
H -4.533304 0.013523 2.471637
H -6.186508 -0.316103 1.939508
H -2.496929 -1.509464 0.455264
H -1.858960 2.218869 -1.535014
H 0.813386 -0.062431 -0.140645
H -0.240295 4.010476 -1.137964
H 1.771801 4.837217 0.049011
H 3.344565 3.216041 1.141479
H 3.153479 -0.353119 -1.262746
H 3.450764 -1.102078 2.989508
H 3.709521 -2.741003 -1.717861
H 4.030882 -3.497280 2.515853
H 4.147710 -4.302091 0.166863


%chk=000179172-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179172

0 1
O -1.861650 -0.667094 -0.694218
O 3.234785 0.496652 1.432145
O -3.435143 1.069426 -1.051851
N -3.934494 -0.863624 0.213247
N 0.367475 -1.527286 -3.123523
C -5.355778 -0.571594 0.590399
C -6.220825 -0.438557 -0.689754
C -5.829516 -1.776685 1.436863
C -5.417618 0.732225 1.427417
C -3.145952 -0.046510 -0.543203
C -0.878351 0.155716 -1.473346
C 0.058357 0.906841 -0.534673
C 1.246426 0.307314 -0.054285
C -0.308624 2.210150 -0.118669
C 2.067070 1.028701 0.841009
C 0.518587 2.910399 0.787467
C 1.709528 2.328316 1.268338
C -0.190720 -0.783482 -2.377662
C 3.990245 -0.529609 0.799340
C 4.266952 -0.528469 -0.587361
C 4.546967 -1.502562 1.656558
C 5.102070 -1.537121 -1.117351
C 5.386525 -2.499793 1.113003
C 5.662901 -2.524906 -0.274258
H -6.187487 -1.370335 -1.282605
H -7.271590 -0.237535 -0.413767
H -5.858973 0.392603 -1.317714
H -5.215377 -1.889995 2.349900
H -6.876106 -1.624410 1.750155
H -5.782833 -2.716931 0.856027
H -5.038906 1.586476 0.841957
H -4.811250 0.635629 2.346030
H -6.462463 0.942617 1.718298
H -3.510289 -1.736488 0.533785
H -1.468521 0.880256 -2.069984
H 1.521179 -0.704772 -0.368805
H -1.236918 2.657112 -0.489856
H 0.240130 3.917640 1.114338
H 2.367877 2.854948 1.965446
H 3.848153 0.244803 -1.238823
H 4.318695 -1.462652 2.725782
H 5.315592 -1.545021 -2.191625
H 5.820612 -3.258158 1.773709
H 6.309159 -3.303135 -0.693483


