%chk=000198931.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198931

1 1
O 3.819665 -1.154252 0.111277
O 5.155370 0.698218 0.224490
N -1.829144 0.062850 0.116582
N 1.851508 -0.169163 -0.380420
N 2.523674 -1.407090 -0.342613
C -2.504264 1.370782 0.412003
C -2.652149 -1.113647 0.554778
C -3.857443 1.419192 -0.316263
C -4.006427 -1.084399 -0.172639
C -4.744063 0.234382 0.080963
C -0.440107 0.010369 0.635692
C 0.397641 -0.126908 -0.674194
C 2.705008 0.830109 -0.292273
C 4.070409 0.292193 0.026706
H -1.856018 2.194378 0.044910
H -2.658755 1.528376 1.502436
H -2.817249 -1.126212 1.654924
H -2.108869 -2.044697 0.288271
H -3.696301 1.414376 -1.413353
H -4.365250 2.376196 -0.084876
H -4.622278 -1.942082 0.162509
H -3.852968 -1.223558 -1.262026
H -5.041946 0.313149 1.144512
H -5.690061 0.257546 -0.496070
H -0.139681 0.924458 1.191359
H -0.250229 -0.849598 1.311043
H 0.078003 -1.041818 -1.240929
H 0.168778 0.729104 -1.363175
H 2.513395 1.901451 -0.437212
H 2.118049 -2.157106 0.260589


%chk=000198931-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198931

1 1
O 3.556472 -1.255972 -0.414344
O 4.937472 0.701308 -0.158256
N -1.855697 0.128193 1.046474
N 1.548460 -0.144664 -0.624522
N 2.167065 -1.419093 -0.740866
C -2.558642 1.414666 0.840582
C -2.719003 -1.074090 1.046703
C -3.444239 1.391041 -0.434654
C -3.606955 -1.147261 -0.224835
C -4.394400 0.170706 -0.414797
C -0.440099 0.035129 0.967410
C 0.098618 -0.051587 -0.572325
C 2.473480 0.821453 -0.457940
C 3.806936 0.263792 -0.317492
H -1.816515 2.232340 0.804897
H -3.207610 1.596295 1.722248
H -3.376427 -1.024765 1.939293
H -2.087553 -1.974593 1.151791
H -2.804576 1.354196 -1.339705
H -4.019554 2.333317 -0.484179
H -4.298095 -2.004066 -0.126851
H -2.975487 -1.340239 -1.115847
H -5.125532 0.285534 0.410564
H -4.979562 0.130992 -1.350702
H 0.045599 0.924567 1.412663
H -0.080581 -0.868555 1.494795
H -0.333848 -0.935062 -1.069441
H -0.217482 0.858126 -1.105500
H 2.231628 1.880534 -0.482320
H 1.744426 -2.165644 -0.155843


