%chk=000106253.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000106253

0 1
O -1.317450 -0.936484 1.608898
O 2.331700 -1.552689 -0.158113
N -2.384394 0.675219 0.262823
N -2.064245 1.921700 -0.278510
N 0.996254 0.539830 0.384547
N 2.046234 1.219006 0.345569
C -0.188874 1.202455 0.973569
C -0.849717 2.267128 0.087416
C -1.296935 0.114111 1.029666
C -3.648473 0.072681 -0.069628
C -0.183244 3.530135 -0.277646
C -3.974483 -1.180627 0.480141
C -4.550658 0.736363 -0.923698
C 3.230391 0.603830 -0.167007
C -5.206228 -1.759852 0.169265
C -5.775055 0.137228 -1.218612
C 3.420912 -0.790301 -0.411033
C -6.108779 -1.108835 -0.676449
C 4.307924 1.483258 -0.399844
C 4.662225 -1.272390 -0.870410
C 5.527909 1.000254 -0.862617
C 5.699630 -0.373353 -1.095051
C 2.426760 -3.020411 -0.232241
C 1.032609 -3.433625 0.190364
H -0.004120 1.603359 2.003836
H -0.038643 4.176307 0.602747
H -0.761198 4.106424 -1.019268
H 0.816157 3.344513 -0.709032
H -3.279190 -1.702274 1.142761
H -4.297385 1.707704 -1.350371
H -5.461597 -2.730455 0.594119
H -6.476133 0.647482 -1.878609
H -7.065588 -1.567786 -0.912235
H 4.170887 2.550839 -0.209763
H 4.810279 -2.331336 -1.056097
H 6.352064 1.686730 -1.042778
H 6.661843 -0.740368 -1.456787
H 2.675943 -3.297070 -1.268755
H 3.212463 -3.350844 0.466169
H 0.398842 -3.709404 -0.659622
H 1.040347 -4.262840 0.904441
H 0.517916 -2.583410 0.690242


%chk=000106253-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106253

0 1
O -1.266152 0.309420 2.146267
O 2.455743 -1.386377 -0.779184
N -2.472713 0.775670 0.130398
N -2.220790 1.449664 -1.117114
N 0.935873 0.735215 -0.023185
N 1.964608 1.216112 0.618341
C -0.268359 1.591571 0.218603
C -0.985455 1.909790 -1.083091
C -1.357691 0.802068 0.995071
C -3.758076 0.185642 0.331188
C -0.367092 2.627950 -2.239365
C -4.054992 -0.511108 1.533312
C -4.739689 0.302581 -0.687858
C 3.202671 0.513740 0.530311
C -5.333678 -1.084552 1.699620
C -6.010376 -0.278197 -0.500725
C 3.491332 -0.743254 -0.117862
C -6.318079 -0.975019 0.691133
C 4.254123 1.182127 1.218020
C 4.810500 -1.266770 -0.047217
C 5.557822 0.660620 1.275828
C 5.829007 -0.571873 0.637398
C 2.714300 -2.720408 -1.377117
C 1.386913 -3.190891 -1.962927
H 0.006330 2.501856 0.791822
H -0.021377 3.636724 -1.944711
H -1.087967 2.724021 -3.066848
H 0.521281 2.072832 -2.595534
H -3.297032 -0.596513 2.314538
H -4.493158 0.840828 -1.605412
H -5.557293 -1.620796 2.628702
H -6.762911 -0.184449 -1.291769
H -7.307526 -1.423551 0.831079
H 3.992609 2.125940 1.707405
H 5.049850 -2.218435 -0.529511
H 6.346933 1.196637 1.811357
H 6.837298 -0.999480 0.672347
H 3.494275 -2.624907 -2.159785
H 3.078248 -3.409039 -0.587974
H 1.030343 -2.488266 -2.734649
H 1.509649 -4.188421 -2.422778
H 0.617601 -3.256497 -1.175728


