%chk=000297730.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297730

0 1
O -3.469961 3.362717 0.313676
O 2.489877 -1.311966 0.331186
N -3.477917 1.081578 -0.005571
N 3.793037 0.458057 -0.316615
C -2.530131 -0.060417 -0.184536
C -1.181796 0.682191 -0.547439
C -2.983006 -0.954395 -1.360288
C -2.453382 -0.881830 1.121714
C -1.369359 2.138489 -0.067496
C -4.276267 -1.721564 -1.057677
C -3.761983 -1.624929 1.418413
C 0.076474 0.022835 0.018251
C -4.169156 -2.524293 0.244680
C -2.865686 2.329183 0.111752
C 1.356023 0.618523 -0.582863
C 2.568577 -0.185964 -0.134792
C 5.116879 -0.167143 0.044269
C 6.213916 0.855754 -0.305040
C 5.131387 -0.475501 1.548600
C 5.302888 -1.452861 -0.774813
H -1.097442 0.697257 -1.662522
H -2.171721 -1.672662 -1.591356
H -3.123531 -0.342008 -2.271899
H -2.196378 -0.219667 1.969937
H -1.631174 -1.621166 1.045393
H -0.966718 2.871721 -0.786677
H -0.853327 2.336019 0.890637
H -4.466626 0.923110 0.118223
H -4.507139 -2.401473 -1.900452
H -5.129212 -1.018396 -0.998748
H -4.570013 -0.903187 1.643780
H -3.640749 -2.233513 2.335318
H 0.113441 0.114142 1.122650
H 0.060019 -1.072254 -0.181903
H -5.133651 -3.019412 0.463852
H -3.429270 -3.339255 0.123252
H 1.447470 1.684027 -0.297095
H 1.305684 0.601822 -1.691265
H 3.824835 1.395131 -0.704429
H 6.226994 1.101903 -1.371921
H 7.203923 0.450553 -0.061756
H 6.106960 1.787655 0.260027
H 4.330498 -1.188407 1.806302
H 4.973171 0.420714 2.155229
H 6.078954 -0.926858 1.855642
H 4.503763 -2.177529 -0.546022
H 6.255980 -1.938158 -0.546681
H 5.270046 -1.264774 -1.851624


%chk=000297730-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297730

0 1
O -3.500588 3.442550 -0.282457
O 2.567408 -1.570633 -0.496771
N -3.475546 1.081815 -0.336699
N 3.770836 0.408132 -0.178830
C -2.535577 -0.068700 -0.226306
C -1.184205 0.628219 -0.650947
C -2.927407 -1.208046 -1.203590
C -2.518659 -0.612405 1.234897
C -1.368078 2.109630 -0.227878
C -4.247954 -1.917748 -0.814486
C -3.858623 -1.280224 1.625028
C 0.100421 -0.049064 -0.138039
C -4.212550 -2.425542 0.646646
C -2.889106 2.338050 -0.286553
C 1.377891 0.562657 -0.757006
C 2.617784 -0.299639 -0.460327
C 5.121890 -0.186982 0.085672
C 6.082189 1.000272 0.337183
C 5.057195 -1.098644 1.339179
C 5.586346 -0.998525 -1.151896
H -1.166206 0.600486 -1.761893
H -2.105390 -1.952283 -1.209299
H -3.000214 -0.794153 -2.227802
H -2.281930 0.213263 1.933632
H -1.710000 -1.363408 1.326745
H -0.853617 2.833518 -0.880275
H -1.021149 2.290281 0.809018
H -4.490647 0.975024 -0.321822
H -4.433043 -2.758649 -1.509730
H -5.102973 -1.220204 -0.941433
H -4.671017 -0.524432 1.624406
H -3.793618 -1.666740 2.659995
H 0.160524 0.027178 0.965105
H 0.100564 -1.127930 -0.384500
H -5.185503 -2.877826 0.918356
H -3.448703 -3.225375 0.735416
H 1.522972 1.605612 -0.413572
H 1.260334 0.600183 -1.859948
H 3.705753 1.428334 -0.162022
H 6.138328 1.664768 -0.546080
H 7.099225 0.623221 0.539918
H 5.762846 1.597362 1.212693
H 4.342248 -1.920861 1.174070
H 4.736790 -0.521978 2.225986
H 6.054691 -1.528616 1.543642
H 4.873680 -1.812731 -1.360715
H 6.582770 -1.437653 -0.962788
H 5.654816 -0.347763 -2.042624


