%chk=000179199.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179199

0 1
O 3.238062 0.865032 0.012481
N -2.770069 0.459552 0.155602
C -4.978258 -0.709720 -0.242350
C -3.879098 -0.315600 0.791084
C -6.097327 -1.441075 0.527475
C -5.554448 0.545654 -0.913981
C -4.397183 -1.657639 -1.307653
C -1.609952 0.607425 1.091262
C -0.435712 1.223526 0.368767
C 0.840058 0.660230 0.517039
C -0.611096 2.368584 -0.422816
C 1.910758 1.271772 -0.141353
C 0.481481 2.957737 -1.066949
C 1.761235 2.415785 -0.938165
C 3.538520 -0.487515 0.169694
C 2.825915 -1.517198 -0.454274
C 4.691980 -0.721518 0.935213
C 3.291338 -2.826043 -0.297330
C 5.135058 -2.036947 1.069589
C 4.437068 -3.088369 0.460378
H -3.525296 -1.230230 1.313124
H -4.331389 0.338890 1.569122
H -5.733990 -2.355777 1.004928
H -6.532262 -0.807808 1.307157
H -6.913172 -1.728017 -0.144719
H -6.311649 0.293775 -1.661337
H -6.015721 1.216397 -0.181760
H -4.767927 1.124946 -1.414502
H -5.179744 -2.014699 -1.986082
H -3.930480 -2.538162 -0.856797
H -3.645002 -1.157713 -1.927235
H -2.457160 -0.019914 -0.697908
H -1.317110 -0.347919 1.581808
H -1.925972 1.293831 1.914609
H 1.000334 -0.216817 1.138346
H -1.610414 2.792809 -0.533986
H 0.333564 3.848531 -1.678075
H 2.625632 2.857184 -1.427329
H 1.945628 -1.303877 -1.055396
H 5.215378 0.112319 1.397259
H 2.756136 -3.646380 -0.775293
H 6.029644 -2.246982 1.655877
H 4.790344 -4.110460 0.575274


%chk=000179199-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179199

0 1
O 3.322041 0.941211 0.082495
N -2.764895 -0.034472 -0.008100
C -5.244615 -0.528659 -0.205052
C -3.947348 -0.623098 0.653881
C -6.378972 -1.254193 0.564288
C -5.623874 0.957667 -0.424197
C -5.033366 -1.223038 -1.577520
C -1.582414 0.132706 0.863192
C -0.442143 0.852958 0.148685
C 0.899591 0.488982 0.415330
C -0.709165 1.915549 -0.752404
C 1.955024 1.189957 -0.212087
C 0.356665 2.609616 -1.366851
C 1.697716 2.253809 -1.102143
C 3.800462 -0.372833 0.310192
C 3.276879 -1.511758 -0.346919
C 4.916439 -0.478686 1.170278
C 3.880106 -2.769623 -0.122644
C 5.510371 -1.741782 1.380872
C 4.993981 -2.893435 0.740442
H -3.790941 -1.695713 0.938744
H -4.112380 -0.065937 1.598574
H -6.148918 -2.328371 0.701406
H -6.531317 -0.806337 1.565034
H -7.334234 -1.179095 0.011943
H -6.492446 1.047613 -1.103786
H -5.890739 1.442333 0.534484
H -4.771533 1.508784 -0.858944
H -5.984819 -1.264537 -2.139786
H -4.672267 -2.262466 -1.450672
H -4.306985 -0.672055 -2.203977
H -2.518575 -0.534182 -0.873050
H -1.198365 -0.832613 1.279085
H -1.904612 0.735185 1.738141
H 1.121446 -0.324927 1.114924
H -1.751578 2.178401 -0.956578
H 0.145668 3.433255 -2.058022
H 2.538848 2.778377 -1.564830
H 2.426104 -1.415288 -1.028440
H 5.300106 0.425162 1.652977
H 3.480782 -3.653220 -0.633209
H 6.375873 -1.825581 2.047408
H 5.456103 -3.872066 0.907634


